dimethyl 5-[[4-(4-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(4-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(4-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C24H31N3O6S3 MolecularWeight: 553.71444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C24H31N3O6S3/c1-5-6-7-17-8-10-18(11-9-17)36(30,31)27-14-12-26(13-15-27)24(34)25-21-19(22(28)32-3)16(2)20(35-21)23(29)33-4/h8-11H,5-7,12-15H2,1-4H3,(H,25,34)