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

Systemtic Name: ethyl 5-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-tosylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O4S3 MolecularWeight: 543.72116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H29N3O4S3/c1-4-33-25(30)23-22(20-8-6-5-7-9-20)19(3)35-24(23)27-26(34)28-14-16-29(17-15-28)36(31,32)21-12-10-18(2)11-13-21/h5-13H,4,14-17H2,1-3H3,(H,27,34)