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

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-benzyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-benzyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-benzyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCC4=CC=CC=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCC4=CC=CC=C4)OC)OC)C

InChI

InChI=1S/C28H32N2O3S/c1-19-12-20(2)14-23(13-19)33-18-25-24-16-27(32-4)26(31-3)15-22(24)10-11-30(25)28(34)29-17-21-8-6-5-7-9-21/h5-9,12-16,25H,10-11,17-18H2,1-4H3,(H,29,34)