3-phenylpropyl 5-oxidanylidene-5-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoylamino]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)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

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