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

Systemtic Name: methyl 3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S2/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/h2,4-5,7-10,12,17,22H,3,6,11,13H2,1H3,(H2,23,24,25,31)