S-phenoxy N-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]carbamothioate

Systemtic Name: S-phenoxy N-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]carbamothioate Openeye Name: S-phenoxy N-(2-benzylisoindolin-5-yl)carbamothioate CAS Name: oxo-[[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]amino]methanesulfenic acid phenyl ester IUPAC Name: S-phenoxy N-(2-benzyl-1,3-dihydroisoindol-5-yl)carbamothioate Traditional Name: N-(2-benzylisoindolin-5-yl)thiocarbamic acid S-phenoxy ester Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1CC3=CC=CC=C3)C=C(C=C2)NC(=O)SOC4=CC=CC=C4

Isomeric SMILES

C1C2=C(CN1CC3=CC=CC=C3)C=C(C=C2)NC(=O)SOC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S/c25-22(27-26-21-9-5-2-6-10-21)23-20-12-11-18-15-24(16-19(18)13-20)14-17-7-3-1-4-8-17/h1-13H,14-16H2,(H,23,25)