3-phenylpropyl 5-oxidanylidene-5-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoylamino]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)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

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