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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H19ClN2OS MolecularWeight: 346.87426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)O)C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)O)C(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN2OS/c19-15-6-4-13(5-7-15)8-10-20-18(23)21-11-9-16-14(12-21)2-1-3-17(16)22/h1-7,22H,8-12H2,(H,20,23)