6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-24-16-9-12-7-8-20(11-13(12)10-17(16)25-2)18(26)19-14-3-5-15(6-4-14)21(22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,26)