methyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: methyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 3-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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