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6,7-dimethoxy-N-methyl-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
6,7-dimethoxy-N-methyl-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
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Descriptors Computed from Structure
Canonical SMILES:
CNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC
Isomeric SMILES
CNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC
InChI
InChI=1S/C20H23N3O5S/c1-21-20(29)22-9-8-13-10-18(26-2)19(27-3)11-16(13)17(22)12-28-15-6-4-14(5-7-15)23(24)25/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,21,29)
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