N-[2-(4-chlorophenyl)ethyl]-7-methoxy-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-7-methoxy-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-7-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(C=C2CCN(CC2=C1)C(=S)NCCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=C(C=C2CCN(CC2=C1)C(=S)NCCC3=CC=C(C=C3)Cl)O

InChI

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