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

Systemtic Name: 3-(2-hydroxyethyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(2-hydroxyethyl)-N-(3-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(2-hydroxyethyl)-N-(3-pyridinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(2-hydroxyethyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-(3-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=S)NC3=CN=CC=C3)CCO

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=S)NC3=CN=CC=C3)CCO

InChI

InChI=1S/C17H19N3OS/c21-9-7-16-10-13-4-1-2-5-14(13)12-20(16)17(22)19-15-6-3-8-18-11-15/h1-6,8,11,16,21H,7,9-10,12H2,(H,19,22)