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

Systemtic Name: methyl 4-[(2,2-diphenylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2,2-diphenylacetyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-27-17(25)13-12-16(24)21-20(28)23-22-19(26)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,18H,12-13H2,1H3,(H,22,26)(H2,21,23,24,28)