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

Systemtic Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H19N5O7S MolecularWeight: 461.44846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O7S/c1-30-13-3-4-15(17(11-13)24(28)29)20-19(32)21-18(25)14-10-12(23(26)27)2-5-16(14)22-6-8-31-9-7-22/h2-5,10-11H,6-9H2,1H3,(H2,20,21,25,32)