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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-3-chloranyl-4-methoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-chloro-4-methoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-chloro-4-methoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-chloro-4-methoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-chloro-4-methoxy-benzamide Formula: C21H14ClIN2O2S MolecularWeight: 520.77053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H14ClIN2O2S/c1-27-18-9-6-12(10-15(18)22)20(26)24-16-8-7-13(23)11-14(16)21-25-17-4-2-3-5-19(17)28-21/h2-11H,1H3,(H,24,26)