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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(4-mesylpiperazine-1-carbothioyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H21N3O4S3 MolecularWeight: 391.52924

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S3/c1-9-10(2)23-12(11(9)13(18)21-3)15-14(22)16-5-7-17(8-6-16)24(4,19)20/h5-8H2,1-4H3,(H,15,22)