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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-2-19(27)22-14-3-5-15(6-4-14)23-21(32)24-20(28)17-13-16(26(29)30)7-8-18(17)25-9-11-31-12-10-25/h3-8,13H,2,9-12H2,1H3,(H,22,27)(H2,23,24,28,32)