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

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-keto-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H27FN4O3S MolecularWeight: 506.591683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H27FN4O3S/c28-18-10-7-16(8-11-18)23-15-25(33)30-21-14-17(26(34)31-20-5-2-1-4-19(20)29)9-12-22(21)32(23)27(35)24-6-3-13-36-24/h3,6-14,19-20,23H,1-2,4-5,15,29H2,(H,30,33)(H,31,34)