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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(4-mesylpiperazine-1-carbothioyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H28N4O5S3 MolecularWeight: 476.63372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC)C

InChI

InChI=1S/C18H28N4O5S3/c1-6-20(7-2)16(23)14-12(3)13(17(24)27-4)15(29-14)19-18(28)21-8-10-22(11-9-21)30(5,25)26/h6-11H2,1-5H3,(H,19,28)