methyl 3-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]benzoate Openeye Name: methyl 3-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]benzoate CAS Name: 3-[[[5-(diethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(diethylsulfamoyl)-2-methylphenyl]carbamothioylamino]benzoate Traditional Name: 3-[[5-(diethylsulfamoyl)-2-methyl-phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H25N3O4S2/c1-5-23(6-2)29(25,26)17-11-10-14(3)18(13-17)22-20(28)21-16-9-7-8-15(12-16)19(24)27-4/h7-13H,5-6H2,1-4H3,(H2,21,22,28)