1-(2,5-dimethylthiophen-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-3-thienyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 1-(2,5-dimethyl-3-thienyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]ethanone Formula: C18H23N3O3S3 MolecularWeight: 425.58852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C18H23N3O3S3/c1-13-10-16(14(2)26-13)17(22)12-25-18-5-4-15(11-19-18)27(23,24)21-8-6-20(3)7-9-21/h4-5,10-11H,6-9,12H2,1-3H3