phenethyl 4-oxidanylidene-4-(prop-2-enylcarbamothioylamino)butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-(prop-2-enylcarbamothioylamino)butanoate Openeye Name: phenethyl 4-(allylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-(prop-2-enylcarbamothioylamino)butanoate Traditional Name: 4-(allylthiocarbamoylamino)-4-keto-butyric acid phenethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC(=O)CCC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

C=CCNC(=S)NC(=O)CCC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C16H20N2O3S/c1-2-11-17-16(22)18-14(19)8-9-15(20)21-12-10-13-6-4-3-5-7-13/h2-7H,1,8-12H2,(H2,17,18,19,22)