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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5-methoxy-6-oxidanyl-1,3-dihydroisoindole-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-6-methoxy-isoindoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-6-methoxy-1,3-dihydroisoindole-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-6-methoxy-1,3-dihydroisoindole-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-6-methoxy-isoindoline-2-carbothioamide Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CC2=C1)C(=S)NCCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=C(C=C2CN(CC2=C1)C(=S)NCCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H19ClN2O2S/c1-23-17-9-14-11-21(10-13(14)8-16(17)22)18(24)20-7-6-12-2-4-15(19)5-3-12/h2-5,8-9,22H,6-7,10-11H2,1H3,(H,20,24)