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

Systemtic Name: methyl 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O4S3 MolecularWeight: 481.65178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C(=O)OC

InChI

InChI=1S/C21H27N3O4S3/c1-5-16-13-17(20(25)28-4)19(30-16)22-21(29)23-8-10-24(11-9-23)31(26,27)18-12-14(2)6-7-15(18)3/h6-7,12-13H,5,8-11H2,1-4H3,(H,22,29)