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

Systemtic Name: methyl 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(4-tosylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C24H25N3O4S3 MolecularWeight: 515.668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H25N3O4S3/c1-17-8-10-19(11-9-17)34(29,30)27-14-12-26(13-15-27)24(32)25-22-20(23(28)31-2)16-21(33-22)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,25,32)