3-phenylpropyl 4-oxidanylidene-4-(1-phenylpropylcarbamothioylamino)butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(1-phenylpropylcarbamothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(1-phenylpropylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(1-phenylpropylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(1-phenylpropylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-2-20(19-13-7-4-8-14-19)24-23(29)25-21(26)15-16-22(27)28-17-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,20H,2,9,12,15-17H2,1H3,(H2,24,25,26,29)