N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C21H14FN3O3S MolecularWeight: 407.417563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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