2-methoxy-N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-5-sulfanyl-benzamide

Systemtic Name: 2-methoxy-N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-5-sulfanyl-benzamide Openeye Name: 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-5-sulfanyl-benzamide CAS Name: 5-mercapto-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide IUPAC Name: 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-5-sulfanylbenzamide Traditional Name: N-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-5-mercapto-2-methoxy-benzamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c1-29-19-12-11-15(30)13-17(19)22(27)26-21-23(28)24-18-10-6-5-9-16(18)20(25-21)14-7-3-2-4-8-14/h2-13,21,30H,1H3,(H,24,28)(H,26,27)