N-[(5-iodanylpyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(5-iodanylpyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(5-iodo-2-pyridyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(5-iodopyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(5-iodo-2-pyridyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C17H16IN5O4S MolecularWeight: 513.30951

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC=C(C=C3)I

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC=C(C=C3)I

InChI

InChI=1S/C17H16IN5O4S/c18-11-1-4-15(19-10-11)20-17(28)21-16(24)13-9-12(23(25)26)2-3-14(13)22-5-7-27-8-6-22/h1-4,9-10H,5-8H2,(H2,19,20,21,24,28)