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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-besylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O4S3 MolecularWeight: 529.69458

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S3/c1-3-32-24(29)22-21(19-10-6-4-7-11-19)18(2)34-23(22)26-25(33)27-14-16-28(17-15-27)35(30,31)20-12-8-5-9-13-20/h4-13H,3,14-17H2,1-2H3,(H,26,33)