N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide

Systemtic Name: N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide Openeye Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide CAS Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide IUPAC Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide Traditional Name: 3-amoxy-N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H25FN2O2S2 MolecularWeight: 432.574503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCSC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCSC

InChI

InChI=1S/C22H25FN2O2S2/c1-3-4-5-12-27-18-8-6-7-16(14-18)21(26)24-22-25(11-13-28-2)19-10-9-17(23)15-20(19)29-22/h6-10,14-15H,3-5,11-13H2,1-2H3