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

Systemtic Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H24N4O7S MolecularWeight: 524.54566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H24N4O7S/c1-34-23-13-16-11-12-27(25(37)26-17-3-5-18(6-4-17)28(30)31)22(21(16)14-24(23)35-2)15-36-20-9-7-19(8-10-20)29(32)33/h3-10,13-14,22H,11-12,15H2,1-2H3,(H,26,37)