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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(propylcarbamothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(propylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[propylamino(sulfanylidene)methyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(propylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(propylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCCNC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C17H24N2O3S/c1-2-12-18-17(23)19-15(20)10-11-16(21)22-13-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H2,18,19,20,23)