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

Systemtic Name: 2-chloranyl-4-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-4-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-4-nitro-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-4-nitro-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C18H16ClN5O4S2 MolecularWeight: 465.93374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O4S2/c1-2-15(25)22-17(29)20-10-3-5-11(6-4-10)21-18(30)23-16(26)13-8-7-12(24(27)28)9-14(13)19/h3-9H,2H2,1H3,(H2,20,22,25,29)(H2,21,23,26,30)