2-fluoranyl-4-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-fluoranyl-4-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-fluoro-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: 2-fluoro-4-nitro-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-fluoro-4-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-fluoro-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C19H18FN3O3S3 MolecularWeight: 451.557923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H18FN3O3S3/c1-11(2)27-7-8-28-19-22-16-6-3-12(9-17(16)29-19)21-18(24)14-5-4-13(23(25)26)10-15(14)20/h3-6,9-11H,7-8H2,1-2H3,(H,21,24)