3-iodanyl-4-methoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-iodo-4-methoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-iodo-4-methoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-iodo-4-methoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C15H14IN3O2S MolecularWeight: 427.26003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)I

InChI

InChI=1S/C15H14IN3O2S/c1-21-13-5-4-11(7-12(13)16)14(20)19-15(22)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H2,18,19,20,22)