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

Systemtic Name: ethyl 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-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(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H29N3O4S3/c1-3-33-25(30)23-18-21(17-20-7-5-4-6-8-20)35-24(23)27-26(34)28-13-15-29(16-14-28)36(31,32)22-11-9-19(2)10-12-22/h4-12,18H,3,13-17H2,1-2H3,(H,27,34)