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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-thienylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-(2-thenyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C26H29N5O2S2 MolecularWeight: 507.67076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1N(CC2=CC=C(C=C2)C#N)CC3=CC=CS3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN([C@H](CC1N(CC2=CC=C(C=C2)C#N)CC3=CC=CS3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N5O2S2/c27-10-11-29-25(32)23-15-21(9-12-31(23)26(33)24-4-2-14-35-24)30(18-22-3-1-13-34-22)17-20-7-5-19(16-28)6-8-20/h1-8,13-14,21,23H,9-12,15,17-18,27H2,(H,29,32)/t21?,23-/m1/s1