1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-methoxyquinolin-8-yl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-methoxyquinolin-8-yl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-methoxy-8-quinolyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-methoxy-8-quinolinyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-methoxyquinolin-8-yl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-methoxy-8-quinolyl)thiourea Formula: C19H13F6N3OS MolecularWeight: 445.381439

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=CC=N2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC(=C2C(=C1)C=CC=N2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H13F6N3OS/c1-29-14-5-10-3-2-4-26-16(10)15(9-14)28-17(30)27-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h2-9H,1H3,(H2,27,28,30)