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

Systemtic Name: phenethyl 4-[(2,2-diphenylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2,2-diphenylacetyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H27N3O4S/c31-23(16-17-24(32)34-19-18-20-10-4-1-5-11-20)28-27(35)30-29-26(33)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,25H,16-19H2,(H,29,33)(H2,28,30,31,35)