N-[(2S)-2-ethylhexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[(2S)-2-ethylhexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[(2S)-2-ethylhexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[(2S)-2-ethylhexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[(2S)-2-ethylhexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H32N2O2S MolecularWeight: 364.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C20H32N2O2S/c1-5-7-8-15(6-2)13-21-20(25)22-10-9-16-11-18(23-3)19(24-4)12-17(16)14-22/h11-12,15H,5-10,13-14H2,1-4H3,(H,21,25)/t15-/m0/s1