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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[p-tolylmethyl(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylbenzyl)-(2-thenyl)amino]pipecolinamide Formula: C27H38N4O2S MolecularWeight: 482.68122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C

InChI

InChI=1S/C27H38N4O2S/c1-19-5-7-21(8-6-19)17-30(18-25-4-3-15-34-25)24-13-14-31(20(2)32)26(16-24)27(33)29-23-11-9-22(28)10-12-23/h3-8,15,22-24,26H,9-14,16-18,28H2,1-2H3,(H,29,33)/t22?,23?,24?,26-/m1/s1