2-chloranyl-5-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-chloro-5-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide CAS Name: 2-chloro-5-nitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-5-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-chloro-5-nitro-N-[4-(propionylthiocarbamoylamino)phenyl]benzamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O4S/c1-2-15(23)21-17(27)20-11-5-3-10(4-6-11)19-16(24)13-9-12(22(25)26)7-8-14(13)18/h3-9H,2H2,1H3,(H,19,24)(H2,20,21,23,27)