N-[2-(4-chlorophenyl)ethyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H19ClN2OS MolecularWeight: 346.87426

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