N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(4-iodo-2-methyl-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(4-iodo-2-methylanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(4-iodo-2-methylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(4-iodo-2-methyl-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C19H19IN4O4S MolecularWeight: 526.34803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19IN4O4S/c1-12-10-14(20)3-4-15(12)21-19(29)22-18(25)13-2-5-16(17(11-13)24(26)27)23-6-8-28-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,29)