3-phenylpropyl 4-oxidanylidene-4-(prop-2-enylcarbamothioylamino)butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(prop-2-enylcarbamothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-(allylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(prop-2-enylcarbamothioylamino)butanoate Traditional Name: 4-(allylthiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-2-12-18-17(23)19-15(20)10-11-16(21)22-13-6-9-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2,(H2,18,19,20,23)