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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(2-methylphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[o-tolylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylbenzyl)-phenethyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C33H42N4O2S MolecularWeight: 558.77718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H42N4O2S/c1-24-8-5-6-11-26(24)23-36(19-17-25-9-3-2-4-10-25)29-18-20-37(33(39)31-12-7-21-40-31)30(22-29)32(38)35-28-15-13-27(34)14-16-28/h2-12,21,27-30H,13-20,22-23,34H2,1H3,(H,35,38)/t27?,28?,29?,30-/m1/s1