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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C#N)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C#N)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H29N5O2S/c25-10-11-27-23(30)21-14-20(9-12-28(21)24(31)22-2-1-13-32-22)29(19-7-8-19)16-18-5-3-17(15-26)4-6-18/h1-6,13,19-21H,7-12,14,16,25H2,(H,27,30)/t20?,21-/m1/s1