N-(2-chloranyl-5-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C18H18ClN3O4S/c1-25-16-7-11-5-6-21(10-12(11)8-17(16)26-2)18(27)20-15-9-13(22(23)24)3-4-14(15)19/h3-4,7-9H,5-6,10H2,1-2H3,(H,20,27)