5-(1,3-benzothiazol-2-yl)-N-(4-fluoranyl-3-nitro-phenyl)pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-(4-fluoranyl-3-nitro-phenyl)pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-(4-fluoro-3-nitro-phenyl)pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-(4-fluoro-3-nitrophenyl)pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-(4-fluoro-3-nitrophenyl)pentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-(4-fluoro-3-nitro-phenyl)valeramide Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O3S/c19-13-10-9-12(11-15(13)22(24)25)20-17(23)7-3-4-8-18-21-14-5-1-2-6-16(14)26-18/h1-2,5-6,9-11H,3-4,7-8H2,(H,20,23)