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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[2-(allylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(allylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H25N3O4S/c1-2-15-24-22(29)18-10-6-7-11-19(18)25-23(31)26-20(27)12-13-21(28)30-16-14-17-8-4-3-5-9-17/h2-11H,1,12-16H2,(H,24,29)(H2,25,26,27,31)