2-fluoranyl-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide

Systemtic Name: 2-fluoranyl-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: 2-fluoro-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: 2-fluoro-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: 2-fluoro-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: 2-fluoro-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C20H20FN3O4S2 MolecularWeight: 449.518903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F)OC

InChI

InChI=1S/C20H20FN3O4S2/c1-20(2,28-3)8-9-29-19-23-16-7-4-12(10-17(16)30-19)22-18(25)14-6-5-13(24(26)27)11-15(14)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)