N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-iodanyl-benzamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-iodanyl-benzamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-iodo-benzamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-iodo-benzamide Formula: C16H13IN2O3S MolecularWeight: 440.25549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)I)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)I)OC

InChI

InChI=1S/C16H13IN2O3S/c1-21-12-7-11-14(8-13(12)22-2)23-16(18-11)19-15(20)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,18,19,20)