1-[(E)-3-[2-(3-methylbutylsulfanyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-[2-(3-methylbutylsulfanyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-(2-isopentylsulfanylphenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-[2-(3-methylbutylthio)phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-[2-(3-methylbutylsulfanyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-[2-(isoamylthio)phenyl]acryloyl]isonipecotamide Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=CC=C1C=CC(=O)N2CCC(CC2)C(=O)N

Isomeric SMILES

CC(C)CCSC1=CC=CC=C1/C=C/C(=O)N2CCC(CC2)C(=O)N

InChI

InChI=1S/C20H28N2O2S/c1-15(2)11-14-25-18-6-4-3-5-16(18)7-8-19(23)22-12-9-17(10-13-22)20(21)24/h3-8,15,17H,9-14H2,1-2H3,(H2,21,24)/b8-7+