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

Systemtic Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O4S3 MolecularWeight: 509.70494

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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)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S3/c1-5-6-7-18-8-10-19(11-9-18)33(28,29)26-14-12-25(13-15-26)23(31)24-21-20(22(27)30-4)16(2)17(3)32-21/h8-11H,5-7,12-15H2,1-4H3,(H,24,31)