3-(2-hydroxyethyl)-N-(3-methylisoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 3-(2-hydroxyethyl)-N-(3-methylisoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(2-hydroxyethyl)-N-(3-methyl-5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(2-hydroxyethyl)-N-(3-methyl-5-isoquinolinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(2-hydroxyethyl)-N-(3-methylisoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-(3-methyl-5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

InChI

InChI=1S/C22H23N3OS/c1-15-11-20-17(13-23-15)7-4-8-21(20)24-22(27)25-14-18-6-3-2-5-16(18)12-19(25)9-10-26/h2-8,11,13,19,26H,9-10,12,14H2,1H3,(H,24,27)