N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-chloro-4-nitro-benzamide Formula: C22H24ClN5O4S MolecularWeight: 489.97506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H24ClN5O4S/c1-2-3-20(29)27-12-10-26(11-13-27)16-6-4-15(5-7-16)24-22(33)25-21(30)18-9-8-17(28(31)32)14-19(18)23/h4-9,14H,2-3,10-13H2,1H3,(H2,24,25,30,33)