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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-propionamidobenzoyl)amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C18H24N4O6S MolecularWeight: 424.47136

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6S/c1-3-14(23)19-13-6-4-12(5-7-13)17(26)21-22-18(29)20-15(24)8-9-16(25)28-11-10-27-2/h4-7H,3,8-11H2,1-2H3,(H,19,23)(H,21,26)(H2,20,22,24,29)