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

Systemtic Name: methyl 4-[[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-ethyl-6-methylphenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OC)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OC)OC)OC)C

InChI

InChI=1S/C30H34N2O5S/c1-6-20-9-7-8-19(2)28(20)31-30(38)32-15-14-22-16-26(34-3)27(35-4)17-24(22)25(32)18-37-23-12-10-21(11-13-23)29(33)36-5/h7-13,16-17,25H,6,14-15,18H2,1-5H3,(H,31,38)