3-phenylpropyl 5-oxidanylidene-5-(phenethylcarbamothioylamino)pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-(phenethylcarbamothioylamino)pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(phenethylcarbamothioylamino)pentanoate CAS Name: 5-oxo-5-[[(phenethylamino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(phenethylcarbamothioylamino)pentanoate Traditional Name: 5-keto-5-(phenethylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c26-21(25-23(29)24-17-16-20-11-5-2-6-12-20)14-7-15-22(27)28-18-8-13-19-9-3-1-4-10-19/h1-6,9-12H,7-8,13-18H2,(H2,24,25,26,29)