3-methyl-4-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-methyl-4-nitro-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-methyl-4-nitro-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-3-16(23)19-13-5-4-6-14(10-13)20-18(27)21-17(24)12-7-8-15(22(25)26)11(2)9-12/h4-10H,3H2,1-2H3,(H,19,23)(H2,20,21,24,27)