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

Systemtic Name: 2-methoxyethyl 4-[(2,2-diphenylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2,2-diphenylacetyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-29-14-15-30-19(27)13-12-18(26)23-22(31)25-24-21(28)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,20H,12-15H2,1H3,(H,24,28)(H2,23,25,26,31)