methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-tosylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H28N4O5S3 MolecularWeight: 524.67652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S3/c1-14-6-8-16(9-7-14)34(29,30)26-12-10-25(11-13-26)22(32)23-19-17(21(28)31-5)15(2)18(33-19)20(27)24(3)4/h6-9H,10-13H2,1-5H3,(H,23,32)