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

Systemtic Name: 3-(2-hydroxyethyl)-N-(3-propylisoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(2-hydroxyethyl)-N-(3-propyl-5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(2-hydroxyethyl)-N-(3-propyl-5-isoquinolinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(2-hydroxyethyl)-N-(3-propylisoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-(3-propyl-5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

Isomeric SMILES

CCCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

InChI

InChI=1S/C24H27N3OS/c1-2-6-20-14-22-18(15-25-20)9-5-10-23(22)26-24(29)27-16-19-8-4-3-7-17(19)13-21(27)11-12-28/h3-5,7-10,14-15,21,28H,2,6,11-13,16H2,1H3,(H,26,29)