3-phenylpropyl 4-oxidanylidene-4-(propan-2-ylcarbamothioylamino)butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(propan-2-ylcarbamothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-(isopropylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(propan-2-ylcarbamothioylamino)butanoate Traditional Name: 4-(isopropylthiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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