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

Systemtic Name: methyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O6S3 MolecularWeight: 527.67716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H29N3O6S3/c1-6-16-14(2)33-20(19(16)21(26)31-5)23-22(32)24-9-11-25(12-10-24)34(27,28)15-7-8-17(29-3)18(13-15)30-4/h7-8,13H,6,9-12H2,1-5H3,(H,23,32)