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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[(2-benzyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(2-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[(2-phenylmethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(2-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=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

InChI

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