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

Systemtic Name: (4R)-5,8-dimethoxy-4-oxidanyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-4-hydroxy-N-(4-isopropylphenyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-4-hydroxy-5,8-dimethoxy-N-p-cumenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-13(2)14-5-7-15(8-6-14)22-21(27)23-11-16-18(25-3)9-10-19(26-4)20(16)17(24)12-23/h5-10,13,17,24H,11-12H2,1-4H3,(H,22,27)/t17-/m0/s1