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

Systemtic Name: N-(3-bromophenyl)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-bromophenyl)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-bromophenyl)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-bromophenyl)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-bromophenyl)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN2O3S/c1-17-10-18(2)12-22(11-17)33-16-24-23-15-26(32-4)25(31-3)13-19(23)8-9-30(24)27(34)29-21-7-5-6-20(28)14-21/h5-7,10-15,24H,8-9,16H2,1-4H3,(H,29,34)