phenethyl 4-oxidanylidene-4-(phenethylcarbamothioylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c24-19(23-21(27)22-15-13-17-7-3-1-4-8-17)11-12-20(25)26-16-14-18-9-5-2-6-10-18/h1-10H,11-16H2,(H2,22,23,24,27)