methyl 3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]benzoate Openeye Name: methyl 3-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]benzoate CAS Name: 3-[[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]benzoate Traditional Name: 3-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C20H23N3O5S2/c1-27-19(24)14-4-2-5-16(12-14)23-20(29)22-15-7-9-18(10-8-15)30(25,26)21-13-17-6-3-11-28-17/h2,4-5,7-10,12,17,21H,3,6,11,13H2,1H3,(H2,22,23,29)