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

Systemtic Name: N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(3-chloro-2-morpholino-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(3-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)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCOCC4)[N+](=O)[O-]

InChI

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