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

Systemtic Name: methyl 4-[[6,7-dimethoxy-2-[(3-methylphenyl)carbamothioyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[6,7-dimethoxy-2-(m-tolylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[(3-methylanilino)-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[6,7-dimethoxy-2-[(3-methylphenyl)carbamothioyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(m-tolylthiocarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OC)OC)OC

InChI

InChI=1S/C28H30N2O5S/c1-18-6-5-7-21(14-18)29-28(36)30-13-12-20-15-25(32-2)26(33-3)16-23(20)24(30)17-35-22-10-8-19(9-11-22)27(31)34-4/h5-11,14-16,24H,12-13,17H2,1-4H3,(H,29,36)