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

Systemtic Name: methyl 5-phenyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-besylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H23N3O4S3 MolecularWeight: 501.64142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S3/c1-30-22(27)19-16-20(17-8-4-2-5-9-17)32-21(19)24-23(31)25-12-14-26(15-13-25)33(28,29)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,24,31)