1-cyclohexyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]thiourea CAS Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]thiourea Traditional Name: 1-cyclohexyl-3-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]thiourea Formula: C27H33N3O4S MolecularWeight: 495.63362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=S)NC4CCCCC4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=S)NC4CCCCC4)OC)OC)OC

InChI

InChI=1S/C27H33N3O4S/c1-31-23-13-17-10-11-28-22(20(17)15-25(23)33-3)12-18-14-24(32-2)26(34-4)16-21(18)30-27(35)29-19-8-6-5-7-9-19/h10-11,13-16,19H,5-9,12H2,1-4H3,(H2,29,30,35)