N-[1-[(4-azanylcyclohexyl)methylamino]-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxamide

Systemtic Name: N-[1-[(4-azanylcyclohexyl)methylamino]-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxamide Openeye Name: N-[2-[(4-aminocyclohexyl)methylamino]-1-(benzothiophen-3-ylmethyl)-2-oxo-ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide CAS Name: N-[1-[(4-aminocyclohexyl)methylamino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarboxamide IUPAC Name: N-[1-[(4-aminocyclohexyl)methylamino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide Traditional Name: N-[2-[(4-aminocyclohexyl)methylamino]-1-(benzothiophen-3-ylmethyl)-2-keto-ethyl]-4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carboxamide Formula: C31H38N6O3S MolecularWeight: 574.73682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C(CC2=CSC3=CC=CC=C32)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O)N

Isomeric SMILES

C1CC(CCC1CNC(=O)C(CC2=CSC3=CC=CC=C32)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O)N

InChI

InChI=1S/C31H38N6O3S/c32-22-11-9-20(10-12-22)18-33-29(38)26(17-21-19-41-28-8-4-1-5-24(21)28)35-30(39)36-15-13-23(14-16-36)37-27-7-3-2-6-25(27)34-31(37)40/h1-8,19-20,22-23,26H,9-18,32H2,(H,33,38)(H,34,40)(H,35,39)