N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide

Systemtic Name: N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: N-[2-[(4-iodophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: N-[2-[(4-iodobenzyl)thio]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C21H14IN3O3S2 MolecularWeight: 547.38863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)I)[N+](=O)[O-]

InChI

InChI=1S/C21H14IN3O3S2/c22-14-7-5-13(6-8-14)12-29-21-24-17-10-9-15(11-19(17)30-21)23-20(26)16-3-1-2-4-18(16)25(27)28/h1-11H,12H2,(H,23,26)