dimethyl 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22FN3O6S3 MolecularWeight: 515.598583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H22FN3O6S3/c1-12-15(18(25)29-2)17(32-16(12)19(26)30-3)22-20(31)23-8-10-24(11-9-23)33(27,28)14-6-4-13(21)5-7-14/h4-7H,8-11H2,1-3H3,(H,22,31)