2-(4-chlorophenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Formula: C18H20ClN4O3S+ MolecularWeight: 407.8944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O3S/c1-21-8-10-22(11-9-21)20-18(24)16-12-14(23(25)26)4-7-17(16)27-15-5-2-13(19)3-6-15/h2-7,12H,8-11H2,1H3,(H,20,24)/p+1