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

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-3-ylcarbonyl)piperidine-3-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-[3-furanyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-(3-furoyl)nipecotamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2CCCN(C2)C(=O)C3=COC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2CCCN(C2)C(=O)C3=COC=C3)C

InChI

InChI=1S/C21H26N2O3S/c1-15-5-6-19(12-16(15)2)27-11-8-22-20(24)17-4-3-9-23(13-17)21(25)18-7-10-26-14-18/h5-7,10,12,14,17H,3-4,8-9,11,13H2,1-2H3,(H,22,24)