1-[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-[2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-keto-ethyl]isonipecotamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C22H27N3O2S/c1-15-3-6-20(13-16(15)2)28-19-7-4-18(5-8-19)24-21(26)14-25-11-9-17(10-12-25)22(23)27/h3-8,13,17H,9-12,14H2,1-2H3,(H2,23,27)(H,24,26)