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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-morpholino-3-nitro-benzamide Formula: C24H19IN4O4S MolecularWeight: 586.40153

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C24H19IN4O4S/c25-16-6-7-18(17(14-16)24-27-19-3-1-2-4-22(19)34-24)26-23(30)15-5-8-20(21(13-15)29(31)32)28-9-11-33-12-10-28/h1-8,13-14H,9-12H2,(H,26,30)