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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6-methoxy-5-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(CC2)C(=S)NCCC3=CC=C(C=C3)Cl)C=C1)O

Isomeric SMILES

COC1=C(C2=C(CN(CC2)C(=S)NCCC3=CC=C(C=C3)Cl)C=C1)O

InChI

InChI=1S/C19H21ClN2O2S/c1-24-17-7-4-14-12-22(11-9-16(14)18(17)23)19(25)21-10-8-13-2-5-15(20)6-3-13/h2-7,23H,8-12H2,1H3,(H,21,25)