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

Systemtic Name: methyl 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H24FN3O4S3 MolecularWeight: 533.658463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O4S3/c1-32-23(29)21-16-19(15-17-5-3-2-4-6-17)34-22(21)26-24(33)27-11-13-28(14-12-27)35(30,31)20-9-7-18(25)8-10-20/h2-10,16H,11-15H2,1H3,(H,26,33)