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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(2-phenylethanoylamino)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(2-phenylacetyl)amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-23-9-10-24-15(22)8-7-13(20)17-16(25)19-18-14(21)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,18,21)(H2,17,19,20,25)