1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: 1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolyl]-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-[2-[2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrol-3-yl]-2-keto-ethyl]isonipecotamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)CN3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)CN3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H27N3O2S/c1-14-11-19(15(2)24(14)17-5-4-6-18(12-17)27-3)20(25)13-23-9-7-16(8-10-23)21(22)26/h4-6,11-12,16H,7-10,13H2,1-3H3,(H2,22,26)