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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[o-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(2-methylbenzyl)-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pipecolinamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCCO2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H36N4O3S/c1-19-6-2-3-7-20(19)17-29(18-22-8-4-14-33-22)21-10-13-30(26(32)24-9-5-15-34-24)23(16-21)25(31)28-12-11-27/h2-3,5-7,9,15,21-23H,4,8,10-14,16-18,27H2,1H3,(H,28,31)/t21?,22?,23-/m1/s1