ethyl 4-oxidanylidene-4-(1-phenylpropylcarbamothioylamino)butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-(1-phenylpropylcarbamothioylamino)butanoate Openeye Name: ethyl 4-oxo-4-(1-phenylpropylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-(1-phenylpropylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(1-phenylpropylthiocarbamoylamino)butyric acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C16H22N2O3S/c1-3-13(12-8-6-5-7-9-12)17-16(22)18-14(19)10-11-15(20)21-4-2/h5-9,13H,3-4,10-11H2,1-2H3,(H2,17,18,19,22)