N-[[3-chloranyl-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioyl]-2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-ethanamide

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioyl]-2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-ethanamide Openeye Name: N-[[3-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioyl]-2-(2-isopropyl-5-methyl-cyclohexoxy)acetamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide Traditional Name: N-[[3-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]thiocarbamoyl]-2-(2-isopropyl-5-methyl-cyclohexoxy)acetamide Formula: C29H35ClN4O5S MolecularWeight: 587.13

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)Cl)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)Cl)C(C)C

InChI

InChI=1S/C29H35ClN4O5S/c1-16(2)19-8-6-17(3)10-24(19)38-14-27(35)34-29(40)33-18-7-9-23(21(30)11-18)39-28-20-12-25(36-4)26(37-5)13-22(20)31-15-32-28/h7,9,11-13,15-17,19,24H,6,8,10,14H2,1-5H3,(H2,33,34,35,40)