N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-2-6-16(23)19-12-7-5-8-13(11-12)20-18(27)21-17(24)14-9-3-4-10-15(14)22(25)26/h3-5,7-11H,2,6H2,1H3,(H,19,23)(H2,20,21,24,27)