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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(2-phenylethanoylamino)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(2-phenylacetyl)amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c26-19(13-14-21(28)29-15-7-12-17-8-3-1-4-9-17)23-22(30)25-24-20(27)16-18-10-5-2-6-11-18/h1-6,8-11H,7,12-16H2,(H,24,27)(H2,23,25,26,30)