S-[[2-(4-chloranyl-2-fluoranyl-phenyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl]] N-phenylcarbamothioate

Systemtic Name: S-[[2-(4-chloranyl-2-fluoranyl-phenyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl]] N-phenylcarbamothioate Openeye Name: S-[[2-(4-chloro-2-fluoro-phenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid S-[[2-(4-chloro-2-fluorophenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]] ester IUPAC Name: S-[[2-(4-chloro-2-fluorophenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid S-[[2-(4-chloro-2-fluoro-phenyl)-3-keto-4,5,6,7-tetrahydro-1H-isoindol-1-yl]] ester Formula: C21H18ClFN2O2S MolecularWeight: 416.896223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(N(C2=O)C3=C(C=C(C=C3)Cl)F)SC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(N(C2=O)C3=C(C=C(C=C3)Cl)F)SC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H18ClFN2O2S/c22-13-10-11-18(17(23)12-13)25-19(26)15-8-4-5-9-16(15)20(25)28-21(27)24-14-6-2-1-3-7-14/h1-3,6-7,10-12,20H,4-5,8-9H2,(H,24,27)