1-[3,5-dimethyl-4-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]carbonyl-1H-pyrrol-2-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-4-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]carbonyl-1H-pyrrol-2-yl]ethanone Openeye Name: 1-[3,5-dimethyl-4-[3-(4-methylsulfanylbenzoyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone CAS Name: 1-[3,5-dimethyl-4-[[3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-oxomethyl]-1H-pyrrol-2-yl]ethanone IUPAC Name: 1-[3,5-dimethyl-4-[3-(4-methylsulfanylbenzoyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone Traditional Name: 1-[3,5-dimethyl-4-[3-[4-(methylthio)benzoyl]piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)C)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)C)C(=O)C

InChI

InChI=1S/C22H26N2O3S/c1-13-19(14(2)23-20(13)15(3)25)22(27)24-11-5-6-17(12-24)21(26)16-7-9-18(28-4)10-8-16/h7-10,17,23H,5-6,11-12H2,1-4H3