methyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O6S3 MolecularWeight: 513.65058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H27N3O6S3/c1-13-14(2)32-19(18(13)20(25)30-5)22-21(31)23-8-10-24(11-9-23)33(26,27)15-6-7-16(28-3)17(12-15)29-4/h6-7,12H,8-11H2,1-5H3,(H,22,31)