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

Systemtic Name: 6-[(1,3-dimethyl-2H-imidazol-2-yl)sulfanyl]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxidanylidene-hexanamide Openeye Name: 6-[(1,3-dimethyl-2H-imidazol-2-yl)sulfanyl]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxo-hexanamide CAS Name: 6-[(1,3-dimethyl-2H-imidazol-2-yl)thio]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxohexanamide IUPAC Name: 6-[(1,3-dimethyl-2H-imidazol-2-yl)sulfanyl]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-5-oxohexanamide Traditional Name: 6-[(1,3-dimethyl-4-imidazolin-2-yl)thio]-5-keto-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)hexanamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1SCC(=O)CCCC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C)C

Isomeric SMILES

CN1C=CN(C1SCC(=O)CCCC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H31N5O3S/c1-30-16-17-31(2)27(30)36-18-20(33)12-9-15-23(34)28-25-26(35)32(3)22-14-8-7-13-21(22)24(29-25)19-10-5-4-6-11-19/h4-8,10-11,13-14,16-17,25,27H,9,12,15,18H2,1-3H3,(H,28,34)