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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-4-ethoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-4-ethoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-4-ethoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-4-ethoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-4-ethoxy-benzamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O2S/c1-2-27-16-10-7-14(8-11-16)21(26)24-18-12-9-15(23)13-17(18)22-25-19-5-3-4-6-20(19)28-22/h3-13H,2H2,1H3,(H,24,26)