1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-(3-ethanoyl-4-methylsulfanyl-phenyl)urea

Systemtic Name: 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-(3-ethanoyl-4-methylsulfanyl-phenyl)urea Openeye Name: 1-(3-acetyl-4-methylsulfanyl-phenyl)-3-(6,8-difluoro-2-methyl-4-quinolyl)urea CAS Name: 1-[3-acetyl-4-(methylthio)phenyl]-3-(6,8-difluoro-2-methyl-4-quinolinyl)urea IUPAC Name: 1-(3-acetyl-4-methylsulfanylphenyl)-3-(6,8-difluoro-2-methylquinolin-4-yl)urea Traditional Name: 1-[3-acetyl-4-(methylthio)phenyl]-3-(6,8-difluoro-2-methyl-4-quinolyl)urea Formula: C20H17F2N3O2S MolecularWeight: 401.429686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2C(=C1)NC(=O)NC3=CC(=C(C=C3)SC)C(=O)C)F)F

Isomeric SMILES

CC1=NC2=C(C=C(C=C2C(=C1)NC(=O)NC3=CC(=C(C=C3)SC)C(=O)C)F)F

InChI

InChI=1S/C20H17F2N3O2S/c1-10-6-17(15-7-12(21)8-16(22)19(15)23-10)25-20(27)24-13-4-5-18(28-3)14(9-13)11(2)26/h4-9H,1-3H3,(H2,23,24,25,27)