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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C21H14FN3O3S MolecularWeight: 407.417563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14FN3O3S/c22-17-10-5-11-18-19(17)23-21(29-18)24(13-14-6-2-1-3-7-14)20(26)15-8-4-9-16(12-15)25(27)28/h1-12H,13H2