ORC-13661

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H19ClN4O2S
Molecular Weight	390.887
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1[C@H]2CC[C@@H]1C3=C(C2)SC(NC(=O)NC4=CC=C(Cl)C=C4)=C3C(N)=O

InChI

InChIKey=DAHGONXBHYVOPI-NWDGAFQWSA-N

InChI=1S/C18H19ClN4O2S/c1-23-11-6-7-12(23)14-13(8-11)26-17(15(14)16(20)24)22-18(25)21-10-4-2-9(19)3-5-10/h2-5,11-12H,6-8H2,1H3,(H2,20,24)(H2,21,22,25)/t11-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H19ClN4O2S
Molecular Weight	390.887
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:38:29 GMT 2023` Edited by `admin` on `Sat Dec 16 14:38:29 GMT 2023`
Record UNII	KJ7XLN1TIR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORC-13661

Code

English

(1R,8S)-4-{[(4-chlorophenyl)carbamoyl]amino}-11-methyl-5-thia-11-azatricyclo[6.2.1.0<sup>2,6</sup>]undeca-2-(6),3-diene-3-carboxamide

Systematic Name

English

4,6-Ethanothieno[3,2-c]pyridine-3-carboxamide, 2-[[[(4-chlorophenyl)amino]carbonyl]amino]-4,5,6,7-tetrahydro-5-methyl-, (4R,6S)-

Systematic Name

English

(4R,6S)-2-[[[(4-Chlorophenyl)amino]carbonyl]amino]-4,5,6,7-tetrahydro-5-methyl-4,6-ethanothieno[3,2-c]pyridine-3-carboxamide

Systematic Name

English

Code System Code Type Description

CAS

1979935-33-5

Created by admin on Sat Dec 16 14:38:29 GMT 2023 , Edited by admin on Sat Dec 16 14:38:29 GMT 2023

PRIMARY

FDA UNII

KJ7XLN1TIR

Created by admin on Sat Dec 16 14:38:29 GMT 2023 , Edited by admin on Sat Dec 16 14:38:29 GMT 2023

PRIMARY

PUBCHEM

122445050

Created by admin on Sat Dec 16 14:38:29 GMT 2023 , Edited by admin on Sat Dec 16 14:38:29 GMT 2023

PRIMARY

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