N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-phenylsulfanylethanoylamino)propanamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-phenylsulfanylethanoylamino)propanamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[[1-oxo-2-(phenylthio)ethyl]amino]propanamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[[2-(phenylthio)acetyl]amino]propionamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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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)CSC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-18(28-23(32)17-35-20-13-7-4-8-14-20)26(33)30-25-27(34)31(2)22-16-10-9-15-21(22)24(29-25)19-11-5-3-6-12-19/h3-16,18,25H,17H2,1-2H3,(H,28,32)(H,30,33)