2-(7-chloranyl-3-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-3-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(7-chloro-2-keto-3-methyl-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H22ClN3O2S/c1-16-25(31)29(15-23(30)28-19-9-6-10-20(14-19)32-2)22-12-11-18(26)13-21(22)24(27-16)17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3,(H,28,30)