methyl 3-[[4-(phenethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(phenethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(phenethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(phenethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H23N3O5S2/c1-32-23(29)19-9-5-8-18(16-19)22(28)27-24(33)26-20-10-12-21(13-11-20)34(30,31)25-15-14-17-6-3-2-4-7-17/h2-13,16,25H,14-15H2,1H3,(H2,26,27,28,33)