methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c1-20(2,3)23-30(26,27)16-10-8-15(9-11-16)21-19(29)22-17(24)13-6-5-7-14(12-13)18(25)28-4/h5-12,23H,1-4H3,(H2,21,22,24,29)