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

Systemtic Name: methyl 5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-mesylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O4S3 MolecularWeight: 453.59862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4S3/c1-13-15(14-7-5-4-6-8-14)16(18(23)26-2)17(28-13)20-19(27)21-9-11-22(12-10-21)29(3,24)25/h4-8H,9-12H2,1-3H3,(H,20,27)