N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H28N2S MolecularWeight: 304.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CCCCCCCCNC(=S)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C18H28N2S/c1-2-3-4-5-6-9-13-19-18(21)20-14-12-16-10-7-8-11-17(16)15-20/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,19,21)