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

Systemtic Name: N-(3-bromophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-bromophenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-bromophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-bromophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-bromophenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H31BrN2O3S MolecularWeight: 555.52634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31BrN2O3S/c1-18(2)19-8-10-23(11-9-19)34-17-25-24-16-27(33-4)26(32-3)14-20(24)12-13-31(25)28(35)30-22-7-5-6-21(29)15-22/h5-11,14-16,18,25H,12-13,17H2,1-4H3,(H,30,35)