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

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC(=CC=C4)OC)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC(=CC=C4)OC)OC)OC)C

InChI

InChI=1S/C28H32N2O4S/c1-18-11-19(2)13-23(12-18)34-17-25-24-16-27(33-5)26(32-4)14-20(24)9-10-30(25)28(35)29-21-7-6-8-22(15-21)31-3/h6-8,11-16,25H,9-10,17H2,1-5H3,(H,29,35)