3-nitro-4-piperidin-1-yl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-nitro-4-piperidino-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c1-2-20(28)23-16-7-9-17(10-8-16)24-22(32)25-21(29)15-6-11-18(19(14-15)27(30)31)26-12-4-3-5-13-26/h6-11,14H,2-5,12-13H2,1H3,(H,23,28)(H2,24,25,29,32)