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

Systemtic Name: ethyl 4-[[2-(cyclohexylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[2-(cyclohexylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(cyclohexylamino)-sulfanylidenemethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(cyclohexylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(cyclohexylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C28H36N2O5S MolecularWeight: 512.66084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4CCCCC4)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4CCCCC4)OC)OC

InChI

InChI=1S/C28H36N2O5S/c1-4-34-27(31)19-10-12-22(13-11-19)35-18-24-23-17-26(33-3)25(32-2)16-20(23)14-15-30(24)28(36)29-21-8-6-5-7-9-21/h10-13,16-17,21,24H,4-9,14-15,18H2,1-3H3,(H,29,36)