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

Systemtic Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H34N4O5S3 MolecularWeight: 566.75626

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

InChI

InChI=1S/C25H34N4O5S3/c1-6-7-8-18-9-11-19(12-10-18)37(32,33)29-15-13-28(14-16-29)25(35)26-22-20(24(31)34-5)17(2)21(36-22)23(30)27(3)4/h9-12H,6-8,13-16H2,1-5H3,(H,26,35)