N-[2-(4-chlorophenyl)ethyl]-5,6-bis(oxidanyl)-1,3-dihydroisoindole-2-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5,6-bis(oxidanyl)-1,3-dihydroisoindole-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dihydroxy-isoindoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dihydroxy-1,3-dihydroisoindole-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dihydroxy-1,3-dihydroisoindole-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dihydroxy-isoindoline-2-carbothioamide Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2CN1C(=S)NCCC3=CC=C(C=C3)Cl)O)O

Isomeric SMILES

C1C2=CC(=C(C=C2CN1C(=S)NCCC3=CC=C(C=C3)Cl)O)O

InChI

InChI=1S/C17H17ClN2O2S/c18-14-3-1-11(2-4-14)5-6-19-17(23)20-9-12-7-15(21)16(22)8-13(12)10-20/h1-4,7-8,21-22H,5-6,9-10H2,(H,19,23)