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

Systemtic Name: 3-(2-hydroxyethyl)-N-[3-(propoxymethyl)isoquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(2-hydroxyethyl)-N-[3-(propoxymethyl)-5-isoquinolyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(2-hydroxyethyl)-N-[3-(propoxymethyl)-5-isoquinolinyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(2-hydroxyethyl)-N-[3-(propoxymethyl)isoquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-[3-(propoxymethyl)-5-isoquinolyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

Isomeric SMILES

CCCOCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

InChI

InChI=1S/C25H29N3O2S/c1-2-12-30-17-21-14-23-19(15-26-21)8-5-9-24(23)27-25(31)28-16-20-7-4-3-6-18(20)13-22(28)10-11-29/h3-9,14-15,22,29H,2,10-13,16-17H2,1H3,(H,27,31)