phenethyl 4-oxidanylidene-4-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-propionamidobenzoyl)amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H26N4O5S/c1-2-19(28)24-18-10-8-17(9-11-18)22(31)26-27-23(33)25-20(29)12-13-21(30)32-15-14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,24,28)(H,26,31)(H2,25,27,29,33)