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Details

Stereochemistry ACHIRAL
Molecular Formula C23H29N3O4S
Molecular Weight 443.559
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL QUETIAPINE, OPEN RING-

SMILES

CC(=O)NC1=CC=CC=C1SC2=C(C=CC=C2)C(=O)N3CCN(CCOCCO)CC3

InChI

InChIKey=LJMAGQBUYLSXRO-UHFFFAOYSA-N
InChI=1S/C23H29N3O4S/c1-18(28)24-20-7-3-5-9-22(20)31-21-8-4-2-6-19(21)23(29)26-12-10-25(11-13-26)14-16-30-17-15-27/h2-9,27H,10-17H2,1H3,(H,24,28)

HIDE SMILES / InChI

Molecular Formula C23H29N3O4S
Molecular Weight 443.559
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
VMV5CE2UFI
Record Status Validated (UNII)
Record Version