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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(4-mesylpiperazine-1-carbothioyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H24N4O5S3 MolecularWeight: 448.58056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)N(C)C

InChI

InChI=1S/C16H24N4O5S3/c1-10-11(15(22)25-4)13(27-12(10)14(21)18(2)3)17-16(26)19-6-8-20(9-7-19)28(5,23)24/h6-9H2,1-5H3,(H,17,26)