methyl 3-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(allylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(allylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S2/c1-3-11-20-29(25,26)16-9-7-15(8-10-16)21-19(28)22-17(23)13-5-4-6-14(12-13)18(24)27-2/h3-10,12,20H,1,11H2,2H3,(H2,21,22,23,28)