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

Systemtic Name: methyl 5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(4-mesylpiperazine-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H19N3O4S3 MolecularWeight: 377.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C13H19N3O4S3/c1-9-8-10(12(17)20-2)11(22-9)14-13(21)15-4-6-16(7-5-15)23(3,18)19/h8H,4-7H2,1-3H3,(H,14,21)