1-[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[[2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[2-[(2,5-dimethylphenyl)thio]nicotinoyl]piperazino]-3-methyl-butan-1-one Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-16(2)14-21(27)25-10-12-26(13-11-25)23(28)19-6-5-9-24-22(19)29-20-15-17(3)7-8-18(20)4/h5-9,15-16H,10-14H2,1-4H3