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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(2-phenylethanoylamino)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[(2-phenylacetyl)amino]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[(2-phenylacetyl)amino]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[(2-phenylacetyl)amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c27-20(24-23(31)26-25-21(28)17-19-11-5-2-6-12-19)14-7-15-22(29)30-16-8-13-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,25,28)(H2,24,26,27,31)