N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxidanylidene-6-sulfanyl-hexanamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxidanylidene-6-sulfanyl-hexanamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxo-6-sulfanyl-hexanamide CAS Name: 6-mercapto-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxohexanamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxo-6-sulfanylhexanamide Traditional Name: 5-keto-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-6-mercapto-hexanamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCCC(=O)CS)C3=CC=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCCC(=O)CS)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-25-18-12-6-5-11-17(18)20(15-8-3-2-4-9-15)24-21(22(25)28)23-19(27)13-7-10-16(26)14-29/h2-6,8-9,11-12,21,29H,7,10,13-14H2,1H3,(H,23,27)