N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C22H24ClN5O5S MolecularWeight: 505.97446

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN5O5S/c23-16-2-4-18(26-5-9-32-10-6-26)17(14-16)24-22(34)25-21(29)15-1-3-19(20(13-15)28(30)31)27-7-11-33-12-8-27/h1-4,13-14H,5-12H2,(H2,24,25,29,34)