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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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