3-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-methyl-1-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]thiourea

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-methyl-1-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]thiourea Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-[(1-methyl-2-oxo-3-quinolyl)methyl]thiourea CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-[(1-methyl-2-oxo-3-quinolinyl)methyl]thiourea IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]thiourea Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(2-keto-1-methyl-3-quinolyl)methyl]-1-methyl-thiourea Formula: C20H17ClF3N3OS MolecularWeight: 439.88169

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C(C1=O)CN(C)C(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CN1C2=CC=CC=C2C=C(C1=O)CN(C)C(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H17ClF3N3OS/c1-26(11-13-9-12-5-3-4-6-17(12)27(2)18(13)28)19(29)25-16-10-14(20(22,23)24)7-8-15(16)21/h3-10H,11H2,1-2H3,(H,25,29)