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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[2-(allylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(allylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H27N3O4S/c1-2-16-25-23(30)19-12-6-7-13-20(19)26-24(32)27-21(28)14-15-22(29)31-17-8-11-18-9-4-3-5-10-18/h2-7,9-10,12-13H,1,8,11,14-17H2,(H,25,30)(H2,26,27,28,32)