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

Systemtic Name: 3-(hydroxymethyl)-N-isoquinolin-5-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(hydroxymethyl)-N-(5-isoquinolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(hydroxymethyl)-N-(5-isoquinolinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(hydroxymethyl)-N-isoquinolin-5-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(5-isoquinolyl)-3-methylol-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS/c24-13-17-10-14-4-1-2-5-16(14)12-23(17)20(25)22-19-7-3-6-15-11-21-9-8-18(15)19/h1-9,11,17,24H,10,12-13H2,(H,22,25)