1-[(S)-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]-3-(2-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(S)-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]-3-(2-propan-2-ylphenyl)thiourea Openeye Name: 1-(2-isopropylphenyl)-3-[(S)-(6-methoxy-4-quinolyl)-[(2R)-5-vinylquinuclidin-2-yl]methyl]thiourea CAS Name: 1-[(S)-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methyl]-3-(2-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(S)-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]-3-(2-propan-2-ylphenyl)thiourea Traditional Name: 1-[(S)-(6-methoxy-4-quinolyl)-[(2R)-5-vinylquinuclidin-2-yl]methyl]-3-o-cumenyl-thiourea Formula: C30H36N4OS MolecularWeight: 500.69804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC(C2CC3CCN2CC3C=C)C4=C5C=C(C=CC5=NC=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)N[C@H]([C@H]2CC3CCN2CC3C=C)C4=C5C=C(C=CC5=NC=C4)OC

InChI

InChI=1S/C30H36N4OS/c1-5-20-18-34-15-13-21(20)16-28(34)29(24-12-14-31-26-11-10-22(35-4)17-25(24)26)33-30(36)32-27-9-7-6-8-23(27)19(2)3/h5-12,14,17,19-21,28-29H,1,13,15-16,18H2,2-4H3,(H2,32,33,36)/t20?,21?,28-,29+/m1/s1