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

Systemtic Name: propyl 4-oxidanylidene-4-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: propyl 4-[[(4-benzyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[(4-phenylmethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-benzoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-2-14-29-20(27)13-12-19(26)23-22(31)25-24-21(28)17-8-10-18(11-9-17)30-15-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,24,28)(H2,23,25,26,31)