methyl 3-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H19N3O6S2 MolecularWeight: 473.52206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H19N3O6S2/c1-29-20(26)15-5-2-4-14(12-15)19(25)24-21(31)23-16-7-9-18(10-8-16)32(27,28)22-13-17-6-3-11-30-17/h2-12,22H,13H2,1H3,(H2,23,24,25,31)