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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-methylphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[phenethyl(p-tolylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-methylbenzyl)-phenethyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C29H36N4O2S MolecularWeight: 504.68674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C29H36N4O2S/c1-22-9-11-24(12-10-22)21-32(17-13-23-6-3-2-4-7-23)25-14-18-33(29(35)27-8-5-19-36-27)26(20-25)28(34)31-16-15-30/h2-12,19,25-26H,13-18,20-21,30H2,1H3,(H,31,34)/t25?,26-/m1/s1