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

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(furan-2-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-1-[2-furanyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-1-(2-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=CC=CO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4)C

InChI

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