N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluoranyl-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluoranyl-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H21FN4OS/c1-15-4-9-19-20(16(15)2)25-22(29-19)27(12-3-11-26-13-10-24-14-26)21(28)17-5-7-18(23)8-6-17/h4-10,13-14H,3,11-12H2,1-2H3