N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C22H24ClN5O4S MolecularWeight: 489.97506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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