1-[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiourea CAS Name: 1-[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiourea Traditional Name: 1-benzyl-3-[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiourea Formula: C25H22ClN3O3S MolecularWeight: 479.97848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-30-23-13-18-20(14-24(23)31-2)27-11-10-21(18)32-22-9-8-17(12-19(22)26)29-25(33)28-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,28,29,33)