N-[3-(ethoxymethyl)isoquinolin-5-yl]-2-(2-hydroxyethyl)-2,3-dihydroindole-1-carbothioamide

Systemtic Name: N-[3-(ethoxymethyl)isoquinolin-5-yl]-2-(2-hydroxyethyl)-2,3-dihydroindole-1-carbothioamide Openeye Name: N-[3-(ethoxymethyl)-5-isoquinolyl]-2-(2-hydroxyethyl)indoline-1-carbothioamide CAS Name: N-[3-(ethoxymethyl)-5-isoquinolinyl]-2-(2-hydroxyethyl)-2,3-dihydroindole-1-carbothioamide IUPAC Name: N-[3-(ethoxymethyl)isoquinolin-5-yl]-2-(2-hydroxyethyl)-2,3-dihydroindole-1-carbothioamide Traditional Name: N-[3-(ethoxymethyl)-5-isoquinolyl]-2-(2-hydroxyethyl)indoline-1-carbothioamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3C(CC4=CC=CC=C43)CCO

Isomeric SMILES

CCOCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3C(CC4=CC=CC=C43)CCO

InChI

InChI=1S/C23H25N3O2S/c1-2-28-15-18-13-20-17(14-24-18)7-5-8-21(20)25-23(29)26-19(10-11-27)12-16-6-3-4-9-22(16)26/h3-9,13-14,19,27H,2,10-12,15H2,1H3,(H,25,29)