N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(furan-3-ylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(furan-3-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-1-[3-furanyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-1-(3-furoyl)isonipecotamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=COC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=COC=C4)C

InChI

InChI=1S/C25H26N2O3S/c1-17-3-8-23(18(2)15-17)31-22-6-4-21(5-7-22)26-24(28)19-9-12-27(13-10-19)25(29)20-11-14-30-16-20/h3-8,11,14-16,19H,9-10,12-13H2,1-2H3,(H,26,28)