N-[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]-1-pyridin-4-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]-1-pyridin-4-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[(4-isobutylphenyl)-(2-thienyl)methyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-1-[oxo(pyridin-4-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-[(4-isobutylphenyl)-(2-thienyl)methyl]-1-isonicotinoyl-isonipecotamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C27H31N3O2S/c1-19(2)18-20-5-7-21(8-6-20)25(24-4-3-17-33-24)29-26(31)22-11-15-30(16-12-22)27(32)23-9-13-28-14-10-23/h3-10,13-14,17,19,22,25H,11-12,15-16,18H2,1-2H3,(H,29,31)