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

Systemtic Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-ethyl-thiourea Openeye Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-ethyl-thiourea CAS Name: 1-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-3-ethylthiourea IUPAC Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-ethylthiourea Traditional Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-ethyl-thiourea Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-6-24-23(31)26-17-13-22(30-5)20(28-3)11-15(17)9-18-16-12-21(29-4)19(27-2)10-14(16)7-8-25-18/h7-8,10-13H,6,9H2,1-5H3,(H2,24,26,31)