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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-3-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C=C2CN1C(=S)NCCC3=CC=C(C=C3)Cl)O)O

Isomeric SMILES

CC1CC2=CC(=C(C=C2CN1C(=S)NCCC3=CC=C(C=C3)Cl)O)O

InChI

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