4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoranyl-3-nitro-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoranyl-3-nitro-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoro-3-nitro-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoro-3-nitrophenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-fluoro-3-nitro-phenyl)butyramide Formula: C17H14FN3O3S2 MolecularWeight: 391.439763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FN3O3S2/c18-12-8-7-11(10-14(12)21(23)24)19-16(22)6-3-9-25-17-20-13-4-1-2-5-15(13)26-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,19,22)