phenethyl 4-oxidanylidene-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-[(3-allyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-allyloxyphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

C=CCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O4S/c1-2-14-27-19-10-6-9-18(16-19)23-22(29)24-20(25)11-12-21(26)28-15-13-17-7-4-3-5-8-17/h2-10,16H,1,11-15H2,(H2,23,24,25,29)