propyl 4-oxidanylidene-4-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid propyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H25N3O5S/c1-2-14-29-21(28)13-12-19(26)23-22(31)25-24-20(27)15-30-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,24,27)(H2,23,25,26,31)