2-chloranyl-N-[6-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[6-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[6-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[6-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[6-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[6-(4-fluorobenzyl)-1,3-benzothiazol-2-yl]-5-nitro-benzamide Formula: C21H13ClFN3O3S MolecularWeight: 441.862623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=CC=C1CC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C21H13ClFN3O3S/c22-17-7-6-15(26(28)29)11-16(17)20(27)25-21-24-18-8-3-13(10-19(18)30-21)9-12-1-4-14(23)5-2-12/h1-8,10-11H,9H2,(H,24,25,27)