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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[p-anisyl(phenethyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C29H36N4O3S MolecularWeight: 520.68614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C29H36N4O3S/c1-36-25-11-9-23(10-12-25)21-32(17-13-22-6-3-2-4-7-22)24-14-18-33(29(35)27-8-5-19-37-27)26(20-24)28(34)31-16-15-30/h2-12,19,24,26H,13-18,20-21,30H2,1H3,(H,31,34)/t24?,26-/m1/s1