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

Systemtic Name: propyl 4-oxidanylidene-4-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-oxo-4-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-propionamidobenzoyl)amino]thiocarbamoylamino]butyric acid propyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-3-11-27-16(25)10-9-15(24)20-18(28)22-21-17(26)12-5-7-13(8-6-12)19-14(23)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,19,23)(H,21,26)(H2,20,22,24,28)