1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(4-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(4-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(4-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methyl]thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(4-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methyl]thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(4-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(4-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methyl]thiourea Formula: C29H30F6N4OS MolecularWeight: 596.630119

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCN(CC1)C(C2)C(C3=C4C=C(C=CC4=NC=C3)OC)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC12CCN(CC1)C(C2)[C@H](C3=C4C=C(C=CC4=NC=C3)OC)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H30F6N4OS/c1-3-27-7-10-39(11-8-27)24(16-27)25(21-6-9-36-23-5-4-20(40-2)15-22(21)23)38-26(41)37-19-13-17(28(30,31)32)12-18(14-19)29(33,34)35/h4-6,9,12-15,24-25H,3,7-8,10-11,16H2,1-2H3,(H2,37,38,41)/t24?,25-/m0/s1