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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-tosylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C24H32N4O5S3 MolecularWeight: 552.72968

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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)C)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)C)C(=O)OC)C

InChI

InChI=1S/C24H32N4O5S3/c1-6-26(7-2)22(29)20-17(4)19(23(30)33-5)21(35-20)25-24(34)27-12-14-28(15-13-27)36(31,32)18-10-8-16(3)9-11-18/h8-11H,6-7,12-15H2,1-5H3,(H,25,34)