N-octyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-octyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/c1-2-3-4-5-6-7-9-19-18(23)20-10-8-14-11-16(21)17(22)12-15(14)13-20/h11-12,21-22H,2-10,13H2,1H3,(H,19,23)