3-phenylpropyl 5-oxidanylidene-5-(1-phenylethylcarbamothioylamino)pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-(1-phenylethylcarbamothioylamino)pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(1-phenylethylcarbamothioylamino)pentanoate CAS Name: 5-oxo-5-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(1-phenylethylcarbamothioylamino)pentanoate Traditional Name: 5-keto-5-(1-phenylethylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O3S/c1-18(20-13-6-3-7-14-20)24-23(29)25-21(26)15-8-16-22(27)28-17-9-12-19-10-4-2-5-11-19/h2-7,10-11,13-14,18H,8-9,12,15-17H2,1H3,(H2,24,25,26,29)