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

Systemtic Name: phenethyl 4-oxidanylidene-4-(1-phenylethylcarbamothioylamino)butanoate Openeye Name: phenethyl 4-oxo-4-(1-phenylethylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-(1-phenylethylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(1-phenylethylthiocarbamoylamino)butyric acid phenethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-16(18-10-6-3-7-11-18)22-21(27)23-19(24)12-13-20(25)26-15-14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H2,22,23,24,27)