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

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3O2S/c1-31-19-9-5-8-18(13-19)27-22(29)15-28-21-11-10-17(25)12-20(21)24(26-14-23(28)30)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,27,29)