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

Systemtic Name: N-(4-iodophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-iodophenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-iodophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-iodophenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-iodophenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H31IN2O3S MolecularWeight: 602.52681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31IN2O3S/c1-18(2)19-5-11-23(12-6-19)34-17-25-24-16-27(33-4)26(32-3)15-20(24)13-14-31(25)28(35)30-22-9-7-21(29)8-10-22/h5-12,15-16,18,25H,13-14,17H2,1-4H3,(H,30,35)