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

Systemtic Name: dimethyl 5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(4-ethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H27N3O6S3 MolecularWeight: 525.66128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C22H27N3O6S3/c1-5-15-6-8-16(9-7-15)34(28,29)25-12-10-24(11-13-25)22(32)23-19-17(20(26)30-3)14(2)18(33-19)21(27)31-4/h6-9H,5,10-13H2,1-4H3,(H,23,32)