3-phenylpropyl 4-oxidanylidene-4-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[(4-benzyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[(4-phenylmethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-benzoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O5S/c32-25(17-18-26(33)35-19-7-12-21-8-3-1-4-9-21)29-28(37)31-30-27(34)23-13-15-24(16-14-23)36-20-22-10-5-2-6-11-22/h1-6,8-11,13-16H,7,12,17-20H2,(H,30,34)(H2,29,31,32,37)