N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H15IN2O3S MolecularWeight: 514.33557

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H15IN2O3S/c23-14-6-7-16(15(12-14)22-25-17-3-1-2-4-20(17)29-22)24-21(26)13-5-8-18-19(11-13)28-10-9-27-18/h1-8,11-12H,9-10H2,(H,24,26)