N-(4-azanylcyclohexyl)-2-cyclohexyl-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-2-cyclohexyl-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-2-cyclohexyl-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-2-cyclohexyl-4-oxo-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-2-cyclohexyl-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-2-cyclohexyl-4-keto-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CS4)C=CC(=C3)C(=O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CS4)C=CC(=C3)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C27H34N4O3S/c28-19-9-11-20(12-10-19)29-26(33)18-8-13-22-21(15-18)30-25(32)16-23(17-5-2-1-3-6-17)31(22)27(34)24-7-4-14-35-24/h4,7-8,13-15,17,19-20,23H,1-3,5-6,9-12,16,28H2,(H,29,33)(H,30,32)