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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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