1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-[(3,4-dimethylphenyl)thio]nicotinoyl]piperazino]-2-methyl-propan-1-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C(C)C)C

InChI

InChI=1S/C22H27N3O2S/c1-15(2)21(26)24-10-12-25(13-11-24)22(27)19-6-5-9-23-20(19)28-18-8-7-16(3)17(4)14-18/h5-9,14-15H,10-13H2,1-4H3