1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C27H29N3O5S/c1-17-11-18(2)13-22(12-17)35-16-24-23-15-26(34-4)25(33-3)14-19(23)9-10-29(24)27(36)28-20-5-7-21(8-6-20)30(31)32/h5-8,11-15,24H,9-10,16H2,1-4H3,(H,28,36)