[1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [1-[(3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC)C

InChI

InChI=1S/C20H24N2O2S/c1-13-11-14(2)21-18(13)20(24)22-10-6-7-15(12-22)19(23)16-8-4-5-9-17(16)25-3/h4-5,8-9,11,15,21H,6-7,10,12H2,1-3H3