3-phenylpropyl 4-oxidanylidene-4-(phenethylcarbamothioylamino)butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(phenethylcarbamothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(phenethylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[(phenethylamino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(phenethylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(phenethylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c25-20(24-22(28)23-16-15-19-10-5-2-6-11-19)13-14-21(26)27-17-7-12-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2,(H2,23,24,25,28)