N-[3-(ethoxymethyl)isoquinolin-5-yl]-3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[3-(ethoxymethyl)isoquinolin-5-yl]-3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[3-(ethoxymethyl)-5-isoquinolyl]-3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[3-(ethoxymethyl)-5-isoquinolinyl]-3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[3-(ethoxymethyl)isoquinolin-5-yl]-3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[3-(ethoxymethyl)-5-isoquinolyl]-3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

Isomeric SMILES

CCOCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

InChI

InChI=1S/C24H27N3O2S/c1-2-29-16-20-13-22-18(14-25-20)8-5-9-23(22)26-24(30)27-15-19-7-4-3-6-17(19)12-21(27)10-11-28/h3-9,13-14,21,28H,2,10-12,15-16H2,1H3,(H,26,30)