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

Systemtic Name: methyl 5-ethyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-besylpiperazine-1-carbothioyl)amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O4S3 MolecularWeight: 453.59862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

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