N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-(4-fluorophenyl)ethanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-(4-fluorophenyl)ethanamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-(4-fluorophenyl)acetamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-2-(4-fluorophenyl)acetamide Formula: C21H14FN3O3S2 MolecularWeight: 439.482563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H14FN3O3S2/c22-14-7-5-13(6-8-14)9-20(26)23-15-10-16(25(27)28)12-17(11-15)29-21-24-18-3-1-2-4-19(18)30-21/h1-8,10-12H,9H2,(H,23,26)