2-(2-hydroxyethyl)-N-(3-methylisoquinolin-5-yl)-2,3-dihydroindole-1-carbothioamide

Systemtic Name: 2-(2-hydroxyethyl)-N-(3-methylisoquinolin-5-yl)-2,3-dihydroindole-1-carbothioamide Openeye Name: 2-(2-hydroxyethyl)-N-(3-methyl-5-isoquinolyl)indoline-1-carbothioamide CAS Name: 2-(2-hydroxyethyl)-N-(3-methyl-5-isoquinolinyl)-2,3-dihydroindole-1-carbothioamide IUPAC Name: 2-(2-hydroxyethyl)-N-(3-methylisoquinolin-5-yl)-2,3-dihydroindole-1-carbothioamide Traditional Name: 2-(2-hydroxyethyl)-N-(3-methyl-5-isoquinolyl)indoline-1-carbothioamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=S)N3C(CC4=CC=CC=C43)CCO

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=S)N3C(CC4=CC=CC=C43)CCO

InChI

InChI=1S/C21H21N3OS/c1-14-11-18-16(13-22-14)6-4-7-19(18)23-21(26)24-17(9-10-25)12-15-5-2-3-8-20(15)24/h2-8,11,13,17,25H,9-10,12H2,1H3,(H,23,26)