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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H29FN4O5S3 MolecularWeight: 556.693563

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC)C

InChI

InChI=1S/C23H29FN4O5S3/c1-5-26(6-2)21(29)19-15(3)18(22(30)33-4)20(35-19)25-23(34)27-11-13-28(14-12-27)36(31,32)17-9-7-16(24)8-10-17/h7-10H,5-6,11-14H2,1-4H3,(H,25,34)