N-[(4-iodanyl-3,5-dimethyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(4-iodanyl-3,5-dimethyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(4-iodo-3,5-dimethyl-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(4-iodo-3,5-dimethylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(4-iodo-3,5-dimethyl-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H21IN4O4S MolecularWeight: 540.37461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1I)C)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1I)C)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21IN4O4S/c1-12-9-15(10-13(2)18(12)21)22-20(30)23-19(26)14-3-4-16(17(11-14)25(27)28)24-5-7-29-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26,30)