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

Systemtic Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H33N3O4S3 MolecularWeight: 523.73152

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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)CC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O4S3/c1-5-7-8-18-9-11-19(12-10-18)34(29,30)27-15-13-26(14-16-27)24(32)25-22-21(23(28)31-4)20(6-2)17(3)33-22/h9-12H,5-8,13-16H2,1-4H3,(H,25,32)