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

Systemtic Name: phenethyl 4-oxidanylidene-4-[(2-phenylethanoylamino)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(2-phenylacetyl)amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O4S/c25-18(11-12-20(27)28-14-13-16-7-3-1-4-8-16)22-21(29)24-23-19(26)15-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,23,26)(H2,22,24,25,29)