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

Systemtic Name: N-[(2-iodanylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-iodophenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-iodoanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-iodophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-iodophenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H17IN4O4S MolecularWeight: 512.32145

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3I

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3I

InChI

InChI=1S/C18H17IN4O4S/c19-14-3-1-2-4-15(14)20-18(28)21-17(24)13-11-12(23(25)26)5-6-16(13)22-7-9-27-10-8-22/h1-6,11H,7-10H2,(H2,20,21,24,28)