methyl 4-oxidanylidene-4-[(2-phenylethanoylamino)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(2-phenylethanoylamino)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(2-phenylacetyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C14H17N3O4S/c1-21-13(20)8-7-11(18)15-14(22)17-16-12(19)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,19)(H2,15,17,18,22)