methyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

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

InChI

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