3-phenylpropyl 5-oxidanylidene-5-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-benzyloxybenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[(4-phenylmethoxybenzoyl)amino]carbamothioylamino]pentanoate Traditional Name: 5-[[(4-benzoxybenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O5S/c33-26(14-7-15-27(34)36-20-8-13-22-9-3-1-4-10-22)30-29(38)32-31-28(35)24-16-18-25(19-17-24)37-21-23-11-5-2-6-12-23/h1-6,9-12,16-19H,7-8,13-15,20-21H2,(H,31,35)(H2,30,32,33,38)