methyl 4-oxidanylidene-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-benzyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-phenylmethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-benzoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

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