methyl 2-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: methyl 2-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 2-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 2-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O4S/c1-24-18(23)15-10-5-6-11-16(15)20-19(26)21-17(22)12-7-13-25-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H2,20,21,22,26)