N-(1,3-benzothiazol-2-yl)-N-(3-fluoranyl-4-methyl-phenyl)-4-thiophen-2-yl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-fluoranyl-4-methyl-phenyl)-4-thiophen-2-yl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)-4-(2-thienyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-4-thiophen-2-ylbutanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-4-thiophen-2-ylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)-4-(2-thienyl)butyramide Formula: C22H19FN2OS2 MolecularWeight: 410.527463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCCC4=CC=CS4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCCC4=CC=CS4)F

InChI

InChI=1S/C22H19FN2OS2/c1-15-11-12-16(14-18(15)23)25(21(26)10-4-6-17-7-5-13-27-17)22-24-19-8-2-3-9-20(19)28-22/h2-3,5,7-9,11-14H,4,6,10H2,1H3