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

Systemtic Name: (4R)-5,8-dimethoxy-N-(4-nitrophenyl)-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-25-15-7-8-16(26-2)17-13(15)9-20(10-14(17)22)18(27)19-11-3-5-12(6-4-11)21(23)24/h3-8,14,22H,9-10H2,1-2H3,(H,19,27)/t14-/m0/s1