methyl 4-[[2-[(4-iodophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[2-[(4-iodophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-[(4-iodophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(4-iodoanilino)-sulfanylidenemethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-iodophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-[(4-iodophenyl)thiocarbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C27H27IN2O5S MolecularWeight: 618.48315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)I)COC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)I)COC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H27IN2O5S/c1-32-24-14-18-12-13-30(27(36)29-20-8-6-19(28)7-9-20)23(22(18)15-25(24)33-2)16-35-21-10-4-17(5-11-21)26(31)34-3/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,29,36)