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

Systemtic Name: propyl 4-oxidanylidene-4-[(2-phenylethanoylamino)carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(2-phenylacetyl)amino]thiocarbamoylamino]butyric acid propyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-2-10-23-15(22)9-8-13(20)17-16(24)19-18-14(21)11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,18,21)(H2,17,19,20,24)