methyl 4-oxidanylidene-4-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2-benzyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(2-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[(2-phenylmethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(2-benzoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1OCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-27-18(25)12-11-17(24)21-20(29)23-22-19(26)15-9-5-6-10-16(15)28-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,22,26)(H2,21,23,24,29)