3-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-nitro-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-2-3-10-17(24)20-14-7-5-8-15(12-14)21-19(28)22-18(25)13-6-4-9-16(11-13)23(26)27/h4-9,11-12H,2-3,10H2,1H3,(H,20,24)(H2,21,22,25,28)