3-phenylpropyl 5-[(2,2-diphenylethanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2,2-diphenylethanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(2,2-diphenylacetyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H31N3O4S/c33-25(19-10-20-26(34)36-21-11-14-22-12-4-1-5-13-22)30-29(37)32-31-28(35)27(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,27H,10-11,14,19-21H2,(H,31,35)(H2,30,32,33,37)