N-octyl-5,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-octyl-5,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 5,6-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 5,6-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 5,6-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 5,6-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=C(C1)C=CC(=C2O)O

Isomeric SMILES

CCCCCCCCNC(=S)N1CCC2=C(C1)C=CC(=C2O)O

InChI

InChI=1S/C18H28N2O2S/c1-2-3-4-5-6-7-11-19-18(23)20-12-10-15-14(13-20)8-9-16(21)17(15)22/h8-9,21-22H,2-7,10-13H2,1H3,(H,19,23)