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

Systemtic Name: 4-ethoxy-3-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-3-5-9-19(26)22-15-7-6-8-16(13-15)23-21(31)24-20(27)14-10-11-18(30-4-2)17(12-14)25(28)29/h6-8,10-13H,3-5,9H2,1-2H3,(H,22,26)(H2,23,24,27,31)