N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-bromo-4-ethoxy-benzamide Formula: C22H16BrIN2O2S MolecularWeight: 579.24811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C22H16BrIN2O2S/c1-2-28-19-10-7-13(11-16(19)23)21(27)25-17-9-8-14(24)12-15(17)22-26-18-5-3-4-6-20(18)29-22/h3-12H,2H2,1H3,(H,25,27)