N-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H24N2O2S MolecularWeight: 308.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

CCCCNC(=S)N1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C16H24N2O2S/c1-4-5-7-17-16(21)18-8-6-12-9-14(19-2)15(20-3)10-13(12)11-18/h9-10H,4-8,11H2,1-3H3,(H,17,21)