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

Systemtic Name: 3-(2-hydroxyethyl)-N-[3-(octoxymethyl)isoquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(2-hydroxyethyl)-N-[3-(octoxymethyl)-5-isoquinolyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(2-hydroxyethyl)-N-[3-(octoxymethyl)-5-isoquinolinyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(2-hydroxyethyl)-N-[3-(octoxymethyl)isoquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-[3-(octoxymethyl)-5-isoquinolyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C30H39N3O2S MolecularWeight: 505.71456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

Isomeric SMILES

CCCCCCCCOCC1=NC=C2C=CC=C(C2=C1)NC(=S)N3CC4=CC=CC=C4CC3CCO

InChI

InChI=1S/C30H39N3O2S/c1-2-3-4-5-6-9-17-35-22-26-19-28-24(20-31-26)13-10-14-29(28)32-30(36)33-21-25-12-8-7-11-23(25)18-27(33)15-16-34/h7-8,10-14,19-20,27,34H,2-6,9,15-18,21-22H2,1H3,(H,32,36)