3-phenylpropyl 5-oxidanylidene-5-[(2-phenoxyethanoylamino)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(2-phenoxyethanoylamino)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[(2-phenoxyacetyl)amino]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[(2-phenoxyacetyl)amino]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[(2-phenoxyacetyl)amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c27-20(14-7-15-22(29)30-16-8-11-18-9-3-1-4-10-18)24-23(32)26-25-21(28)17-31-19-12-5-2-6-13-19/h1-6,9-10,12-13H,7-8,11,14-17H2,(H,25,28)(H2,24,26,27,32)