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

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

CCC1=CC(=CC=C1)NC(=S)N2CC(C3=C(C=CC(=C3C2)OC)OC)O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2C[C@@H](C3=C(C=CC(=C3C2)OC)OC)O

InChI

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