methyl 4-[[4-(diethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(diethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(diethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-(diethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(diethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(diethylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H23N3O5S2/c1-4-23(5-2)30(26,27)17-12-10-16(11-13-17)21-20(29)22-18(24)14-6-8-15(9-7-14)19(25)28-3/h6-13H,4-5H2,1-3H3,(H2,21,22,24,29)