ethyl 4-oxidanylidene-4-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[(4-benzyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[(4-phenylmethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-benzoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5S/c1-2-28-19(26)13-12-18(25)22-21(30)24-23-20(27)16-8-10-17(11-9-16)29-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,23,27)(H2,22,24,25,30)