N-[2-(4-chlorophenyl)ethyl]-6,8-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6,8-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6,8-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6,8-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6,8-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-6,8-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H19ClN2O2S MolecularWeight: 362.87366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(C=C(C=C21)O)O)C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC2=C(C=C(C=C21)O)O)C(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN2O2S/c19-14-3-1-12(2-4-14)5-7-20-18(24)21-8-6-13-9-15(22)10-17(23)16(13)11-21/h1-4,9-10,22-23H,5-8,11H2,(H,20,24)