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

Systemtic Name: methyl 4-oxidanylidene-4-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-oxo-4-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-propionamidobenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O5S/c1-3-12(21)17-11-6-4-10(5-7-11)15(24)19-20-16(26)18-13(22)8-9-14(23)25-2/h4-7H,3,8-9H2,1-2H3,(H,17,21)(H,19,24)(H2,18,20,22,26)