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

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

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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)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)C(=O)OC)C

InChI

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