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

Systemtic Name: 3-(2-hydroxyethyl)-N-(3-octylisoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(2-hydroxyethyl)-N-(3-octyl-5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(2-hydroxyethyl)-N-(3-octyl-5-isoquinolinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(2-hydroxyethyl)-N-(3-octylisoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-(3-octyl-5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H37N3OS MolecularWeight: 475.68858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

Isomeric SMILES

CCCCCCCCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

InChI

InChI=1S/C29H37N3OS/c1-2-3-4-5-6-7-14-25-19-27-23(20-30-25)13-10-15-28(27)31-29(34)32-21-24-12-9-8-11-22(24)18-26(32)16-17-33/h8-13,15,19-20,26,33H,2-7,14,16-18,21H2,1H3,(H,31,34)