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

Systemtic Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(m-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(m-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC(=C4)C)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC(=C4)C)OC)OC

InChI

InChI=1S/C28H32N2O3S/c1-5-20-9-11-23(12-10-20)33-18-25-24-17-27(32-4)26(31-3)16-21(24)13-14-30(25)28(34)29-22-8-6-7-19(2)15-22/h6-12,15-17,25H,5,13-14,18H2,1-4H3,(H,29,34)