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

Systemtic Name: 6,7-diethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-diethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-diethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-diethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-diethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H23N3O4S/c1-3-26-18-11-14-9-10-22(13-15(14)12-19(18)27-4-2)20(28)21-16-5-7-17(8-6-16)23(24)25/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,28)