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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5-oxidanyl-1,3-dihydroisoindole-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-isoindoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-1,3-dihydroisoindole-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-1,3-dihydroisoindole-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-isoindoline-2-carbothioamide Formula: C17H17ClN2OS MolecularWeight: 332.84768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=S)NCCC3=CC=C(C=C3)Cl)C=C(C=C2)O

Isomeric SMILES

C1C2=C(CN1C(=S)NCCC3=CC=C(C=C3)Cl)C=C(C=C2)O

InChI

InChI=1S/C17H17ClN2OS/c18-15-4-1-12(2-5-15)7-8-19-17(22)20-10-13-3-6-16(21)9-14(13)11-20/h1-6,9,21H,7-8,10-11H2,(H,19,22)