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

Systemtic Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-methyl-thiourea Openeye Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-methyl-thiourea CAS Name: 1-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-3-methylthiourea IUPAC Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-methylthiourea Traditional Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-methyl-thiourea Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC

Isomeric SMILES

CNC(=S)NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC

InChI

InChI=1S/C22H25N3O4S/c1-23-22(30)25-16-12-21(29-5)19(27-3)10-14(16)8-17-15-11-20(28-4)18(26-2)9-13(15)6-7-24-17/h6-7,9-12H,8H2,1-5H3,(H2,23,25,30)