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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5S/c1-2-3-7-21(29)24-16-5-4-6-17(14-16)25-23(34)26-22(30)19-15-18(28(31)32)8-9-20(19)27-10-12-33-13-11-27/h4-6,8-9,14-15H,2-3,7,10-13H2,1H3,(H,24,29)(H2,25,26,30,34)