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

Systemtic Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCCC3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCCC3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H29N3O5S/c1-33-25-16-20-13-15-29(27(36)28-14-12-19-6-4-3-5-7-19)24(23(20)17-26(25)34-2)18-35-22-10-8-21(9-11-22)30(31)32/h3-11,16-17,24H,12-15,18H2,1-2H3,(H,28,36)