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

Systemtic Name: (4R)-N-(3,4-dimethylphenyl)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-N-(3,4-dimethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-N-(3,4-dimethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-N-(3,4-dimethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-N-(3,4-dimethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC(C3=C(C=CC(=C3C2)OC)OC)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2C[C@@H](C3=C(C=CC(=C3C2)OC)OC)O)C

InChI

InChI=1S/C20H24N2O3S/c1-12-5-6-14(9-13(12)2)21-20(26)22-10-15-17(24-3)7-8-18(25-4)19(15)16(23)11-22/h5-9,16,23H,10-11H2,1-4H3,(H,21,26)/t16-/m0/s1