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

Systemtic Name: (4R)-N-(3-chloranyl-4-methyl-phenyl)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-N-(3-chloro-4-methyl-phenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-N-(3-chloro-4-methylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-N-(3-chloro-4-methylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-N-(3-chloro-4-methyl-phenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3S/c1-11-4-5-12(8-14(11)20)21-19(26)22-9-13-16(24-2)6-7-17(25-3)18(13)15(23)10-22/h4-8,15,23H,9-10H2,1-3H3,(H,21,26)/t15-/m0/s1