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

Systemtic Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H38N4O5S3 MolecularWeight: 594.80942

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

InChI

InChI=1S/C27H38N4O5S3/c1-6-9-10-20-11-13-21(14-12-20)39(34,35)31-17-15-30(16-18-31)27(37)28-24-22(26(33)36-5)19(4)23(38-24)25(32)29(7-2)8-3/h11-14H,6-10,15-18H2,1-5H3,(H,28,37)