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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-fluorobenzyl)-(2-thenyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C25H29FN4O2S2 MolecularWeight: 500.651763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN4O2S2/c26-19-7-5-18(6-8-19)16-29(17-21-3-1-13-33-21)20-9-12-30(25(32)23-4-2-14-34-23)22(15-20)24(31)28-11-10-27/h1-8,13-14,20,22H,9-12,15-17,27H2,(H,28,31)/t20?,22-/m1/s1