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

Systemtic Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-benzyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-benzyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-benzyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H27N3O5S/c1-32-24-14-19-12-13-28(26(35)27-16-18-6-4-3-5-7-18)23(22(19)15-25(24)33-2)17-34-21-10-8-20(9-11-21)29(30)31/h3-11,14-15,23H,12-13,16-17H2,1-2H3,(H,27,35)