N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-4-fluoranyl-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-4-fluoranyl-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-4-fluoro-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-4-fluoro-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-4-fluoro-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-4-fluoro-3-nitro-benzamide Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-])C

InChI

InChI=1S/C22H16FN3O3S/c1-13-9-14(2)11-16(10-13)25(22-24-18-5-3-4-6-20(18)30-22)21(27)15-7-8-17(23)19(12-15)26(28)29/h3-12H,1-2H3