phenethyl 4-oxidanylidene-4-(1-phenylpropylcarbamothioylamino)butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-(1-phenylpropylcarbamothioylamino)butanoate Openeye Name: phenethyl 4-oxo-4-(1-phenylpropylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-(1-phenylpropylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(1-phenylpropylthiocarbamoylamino)butyric acid phenethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-2-19(18-11-7-4-8-12-18)23-22(28)24-20(25)13-14-21(26)27-16-15-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3,(H2,23,24,25,28)