N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[3-(phenylmethylsulfanyl)propanoylamino]propanamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[3-(phenylmethylsulfanyl)propanoylamino]propanamide Openeye Name: 2-(3-benzylsulfanylpropanoylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[[1-oxo-3-(phenylmethylthio)propyl]amino]propanamide IUPAC Name: 2-(3-benzylsulfanylpropanoylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[3-(benzylthio)propanoylamino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CCSCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CCSCC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3S/c1-20(30-25(34)17-18-37-19-21-11-5-3-6-12-21)28(35)32-27-29(36)33(2)24-16-10-9-15-23(24)26(31-27)22-13-7-4-8-14-22/h3-16,20,27H,17-19H2,1-2H3,(H,30,34)(H,32,35)