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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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