3-phenylpropyl 5-oxidanylidene-5-(prop-2-enylcarbamothioylamino)pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-(prop-2-enylcarbamothioylamino)pentanoate Openeye Name: 3-phenylpropyl 5-(allylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-oxo-5-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(prop-2-enylcarbamothioylamino)pentanoate Traditional Name: 5-(allylthiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

C=CCNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C18H24N2O3S/c1-2-13-19-18(24)20-16(21)11-6-12-17(22)23-14-7-10-15-8-4-3-5-9-15/h2-5,8-9H,1,6-7,10-14H2,(H2,19,20,21,24)