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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(2-phenoxyethanoylamino)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[(2-phenoxyacetyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[(2-phenoxyacetyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(2-phenoxyacetyl)amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c26-19(13-14-21(28)29-15-7-10-17-8-3-1-4-9-17)23-22(31)25-24-20(27)16-30-18-11-5-2-6-12-18/h1-6,8-9,11-12H,7,10,13-16H2,(H,24,27)(H2,23,25,26,31)