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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(4-mesylpiperazine-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H23N3O4S3 MolecularWeight: 405.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C15H23N3O4S3/c1-5-11-10(2)24-13(12(11)14(19)22-3)16-15(23)17-6-8-18(9-7-17)25(4,20)21/h5-9H2,1-4H3,(H,16,23)