N,N'-((6-(METHYLTHIO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO(9,10-DIHYDRO-9,10-DIOXOANTHRACENE-5,1-DIYL)))BIS(BENZAMIDE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H29N7O6S
Molecular Weight	807.831
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N,N'-((6-(METHYLTHIO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO(9,10-DIHYDRO-9,10-DIOXOANTHRACENE-5,1-DIYL)))BIS(BENZAMIDE)

Structure Search

SMILES

CSC1=NC(NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(NC(=O)C5=CC=CC=C5)=CC=C4)=NC(NC6=CC=CC7=C6C(=O)C8=C(C7=O)C(NC(=O)C9=CC=CC=C9)=CC=C8)=N1

InChI

InChIKey=PCSLQKFKSMBVDF-UHFFFAOYSA-N

InChI=1S/C46H29N7O6S/c1-60-46-52-44(49-32-22-10-18-28-36(32)40(56)26-16-8-20-30(34(26)38(28)54)47-42(58)24-12-4-2-5-13-24)51-45(53-46)50-33-23-11-19-29-37(33)41(57)27-17-9-21-31(35(27)39(29)55)48-43(59)25-14-6-3-7-15-25/h2-23H,1H3,(H,47,58)(H,48,59)(H2,49,50,51,52,53)

HIDE SMILES / InChI

Molecular Formula	C46H29N7O6S
Molecular Weight	807.831
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:57:02 GMT 2023` Edited by `admin` on `Sat Dec 16 18:57:02 GMT 2023`
Record UNII	8T7BEA4QST
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N,N'-((6-(METHYLTHIO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO(9,10-DIHYDRO-9,10-DIOXOANTHRACENE-5,1-DIYL)))BIS(BENZAMIDE)

Common Name

English

BENZAMIDE, N,N'-((6-(METHYLTHIO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO(9,10-DIHYDRO-9,10-DIOXO-5,1-ANTHRACENEDIYL)))BIS-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID1072349