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

Systemtic Name: 3-(2-hydroxyethyl)-N-[3-(methoxymethyl)isoquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(2-hydroxyethyl)-N-[3-(methoxymethyl)-5-isoquinolyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(2-hydroxyethyl)-N-[3-(methoxymethyl)-5-isoquinolinyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(2-hydroxyethyl)-N-[3-(methoxymethyl)isoquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-[3-(methoxymethyl)-5-isoquinolyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

Isomeric SMILES

COCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

InChI

InChI=1S/C23H25N3O2S/c1-28-15-19-12-21-17(13-24-19)7-4-8-22(21)25-23(29)26-14-18-6-3-2-5-16(18)11-20(26)9-10-27/h2-8,12-13,20,27H,9-11,14-15H2,1H3,(H,25,29)