5,8-bis(chloranyl)-N-octyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 5,8-bis(chloranyl)-N-octyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H26Cl2N2O2S MolecularWeight: 405.38224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)N1CCC2=C(C1)C(=C(C(=C2Cl)O)O)Cl

Isomeric SMILES

CCCCCCCCNC(=S)N1CCC2=C(C1)C(=C(C(=C2Cl)O)O)Cl

InChI

InChI=1S/C18H26Cl2N2O2S/c1-2-3-4-5-6-7-9-21-18(25)22-10-8-12-13(11-22)15(20)17(24)16(23)14(12)19/h23-24H,2-11H2,1H3,(H,21,25)