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

Systemtic Name: methyl 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20FN3O4S3 MolecularWeight: 457.562503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O4S3/c1-12-11-15(17(23)26-2)16(28-12)20-18(27)21-7-9-22(10-8-21)29(24,25)14-5-3-13(19)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,20,27)