3-phenylpropyl 4-oxidanylidene-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(phenethylcarbamoyl)phenyl]thiocarbamoylamino]butyric 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)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

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