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

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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