ethyl 4-[(2,2-diphenylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(2,2-diphenylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2,2-diphenylacetyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-2-28-18(26)14-13-17(25)22-21(29)24-23-20(27)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3,(H,23,27)(H2,22,24,25,29)