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

Systemtic Name: methyl 5-methyl-2-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-isobutylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-(4-isobutylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O4S3 MolecularWeight: 495.67836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)OC

InChI

InChI=1S/C22H29N3O4S3/c1-15(2)13-17-5-7-18(8-6-17)32(27,28)25-11-9-24(10-12-25)22(30)23-20-19(21(26)29-4)14-16(3)31-20/h5-8,14-15H,9-13H2,1-4H3,(H,23,30)