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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(2-dimethylaminoethyl)-3-nitro-benzamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitrobenzamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitrobenzamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzamide Formula: C18H16F2N4O3S MolecularWeight: 406.406446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16F2N4O3S/c1-22(2)6-7-23(17(25)11-4-3-5-13(8-11)24(26)27)18-21-16-14(20)9-12(19)10-15(16)28-18/h3-5,8-10H,6-7H2,1-2H3