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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)OC

InChI

InChI=1S/C23H31N3O4S3/c1-5-18-15-20(22(27)30-4)21(32-18)24-23(31)25-10-12-26(13-11-25)33(28,29)19-8-6-17(7-9-19)14-16(2)3/h6-9,15-16H,5,10-14H2,1-4H3,(H,24,31)