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

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC)OC)OC)C

InChI

InChI=1S/C22H28N2O3S/c1-14-8-15(2)10-17(9-14)27-13-19-18-12-21(26-5)20(25-4)11-16(18)6-7-24(19)22(28)23-3/h8-12,19H,6-7,13H2,1-5H3,(H,23,28)