N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-cyano-4-(4-isobutylphenyl)-2-thienyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-cyano-4-[4-(2-methylpropyl)phenyl]-2-thiophenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-cyano-4-(4-isobutylphenyl)-2-thienyl]isonipecotamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H27N3O2S/c1-15(2)12-17-4-6-18(7-5-17)21-14-29-23(20(21)13-24)25-22(28)19-8-10-26(11-9-19)16(3)27/h4-7,14-15,19H,8-12H2,1-3H3,(H,25,28)