N-[4,5-dimethoxy-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4,5-dimethoxy-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[4,5-dimethoxy-2-[4-(2-thienylmethyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4,5-dimethoxy-2-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4,5-dimethoxy-2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4,5-dimethoxy-2-[4-(2-thenyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC=CS3)NC(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC=CS3)NC(=O)C4CCCCC4)OC

InChI

InChI=1S/C25H33N3O4S/c1-31-22-15-20(21(16-23(22)32-2)26-24(29)18-7-4-3-5-8-18)25(30)28-12-10-27(11-13-28)17-19-9-6-14-33-19/h6,9,14-16,18H,3-5,7-8,10-13,17H2,1-2H3,(H,26,29)