(4R)-N-butyl-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (4R)-N-butyl-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-N-butyl-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-N-butyl-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-N-butyl-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-N-butyl-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC(C2=C(C=CC(=C2C1)OC)OC)O

Isomeric SMILES

CCCCNC(=S)N1C[C@@H](C2=C(C=CC(=C2C1)OC)OC)O

InChI

InChI=1S/C16H24N2O3S/c1-4-5-8-17-16(22)18-9-11-13(20-2)6-7-14(21-3)15(11)12(19)10-18/h6-7,12,19H,4-5,8-10H2,1-3H3,(H,17,22)/t12-/m0/s1