(2R)-N-(4-azanylcyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[p-anisyl(phenethyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C33H42N4O3S MolecularWeight: 574.77658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H42N4O3S/c1-40-29-15-9-25(10-16-29)23-36(19-17-24-6-3-2-4-7-24)28-18-20-37(33(39)31-8-5-21-41-31)30(22-28)32(38)35-27-13-11-26(34)12-14-27/h2-10,15-16,21,26-28,30H,11-14,17-20,22-23,34H2,1H3,(H,35,38)/t26?,27?,28?,30-/m1/s1