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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25FN4O5S3 MolecularWeight: 528.640403

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O5S3/c1-13-16(20(28)31-4)18(33-17(13)19(27)24(2)3)23-21(32)25-9-11-26(12-10-25)34(29,30)15-7-5-14(22)6-8-15/h5-8H,9-12H2,1-4H3,(H,23,32)