2-(2-azanylbenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-(2-azanylbenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-(2-aminobenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-(2-amino-1-benzo[e][1,3]benzothiazol-1-iumyl)-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-(2-aminobenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-(2-aminobenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C19H14BrFN3OS+ MolecularWeight: 431.301363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)N)CC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)N)CC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C19H13BrFN3OS/c20-12-6-7-15(14(21)9-12)23-17(25)10-24-18-13-4-2-1-3-11(13)5-8-16(18)26-19(24)22/h1-9,22H,10H2,(H,23,25)/p+1