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

Systemtic Name: 2-morpholin-4-yl-N-[(2-morpholin-4-ylphenyl)carbamothioyl]-5-nitro-benzamide Openeye Name: 2-morpholino-N-[(2-morpholinophenyl)carbamothioyl]-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-morpholin-4-yl-N-[(2-morpholin-4-ylphenyl)carbamothioyl]-5-nitrobenzamide Traditional Name: 2-morpholino-N-[(2-morpholinophenyl)thiocarbamoyl]-5-nitro-benzamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3N4CCOCC4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C22H25N5O5S/c28-21(17-15-16(27(29)30)5-6-19(17)25-7-11-31-12-8-25)24-22(33)23-18-3-1-2-4-20(18)26-9-13-32-14-10-26/h1-6,15H,7-14H2,(H2,23,24,28,33)