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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H25N5O5S/c1-2-4-20(28)23-15-5-3-6-16(13-15)24-22(33)25-21(29)18-14-17(27(30)31)7-8-19(18)26-9-11-32-12-10-26/h3,5-8,13-14H,2,4,9-12H2,1H3,(H,23,28)(H2,24,25,29,33)