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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[[(4-benzyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[(4-phenylmethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-benzoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-29-13-14-30-20(27)12-11-19(26)23-22(32)25-24-21(28)17-7-9-18(10-8-17)31-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,24,28)(H2,23,25,26,32)