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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C)C(=O)OC)C

InChI

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