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

Systemtic Name: 3-(2-hydroxyethyl)-N-isoquinolin-5-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(2-hydroxyethyl)-N-(5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(2-hydroxyethyl)-N-(5-isoquinolinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(2-hydroxyethyl)-N-isoquinolin-5-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-(5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=S)NC3=CC=CC4=C3C=CN=C4)CCO

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=S)NC3=CC=CC4=C3C=CN=C4)CCO

InChI

InChI=1S/C21H21N3OS/c25-11-9-18-12-15-4-1-2-5-17(15)14-24(18)21(26)23-20-7-3-6-16-13-22-10-8-19(16)20/h1-8,10,13,18,25H,9,11-12,14H2,(H,23,26)