N-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-N-(3-fluoranyl-4-methyl-phenyl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C25H24FN3OS MolecularWeight: 433.540963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCC4=CC=C(C=C4)N(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCC4=CC=C(C=C4)N(C)C)F

InChI

InChI=1S/C25H24FN3OS/c1-17-8-12-20(16-21(17)26)29(25-27-22-6-4-5-7-23(22)31-25)24(30)15-11-18-9-13-19(14-10-18)28(2)3/h4-10,12-14,16H,11,15H2,1-3H3