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

Systemtic Name: 2-bromanyl-N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[(4-iodophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[(4-iodobenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H14BrIN2OS2 MolecularWeight: 581.28713

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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)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)I)Br

InChI

InChI=1S/C21H14BrIN2OS2/c22-17-4-2-1-3-16(17)20(26)24-15-9-10-18-19(11-15)28-21(25-18)27-12-13-5-7-14(23)8-6-13/h1-11H,12H2,(H,24,26)