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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-4-butoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-butoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-butoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-butoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-butoxy-benzamide Formula: C24H21IN2O2S MolecularWeight: 528.40521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21IN2O2S/c1-2-3-14-29-18-11-8-16(9-12-18)23(28)26-20-13-10-17(25)15-19(20)24-27-21-6-4-5-7-22(21)30-24/h4-13,15H,2-3,14H2,1H3,(H,26,28)