N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-5-bromanyl-2-iodanyl-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-5-bromanyl-2-iodanyl-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-5-bromo-2-iodo-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-iodobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-iodobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-5-bromo-2-iodo-benzamide Formula: C21H14BrIN2OS MolecularWeight: 549.22213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)Br)I

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)Br)I

InChI

InChI=1S/C21H14BrIN2OS/c1-12-6-7-13(21-25-17-4-2-3-5-19(17)27-21)10-18(12)24-20(26)15-11-14(22)8-9-16(15)23/h2-11H,1H3,(H,24,26)