N-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(5-chloro-2-thienyl)thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-(5-chloro-2-thiophenyl)-2-thiazolyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(5-chloro-2-thienyl)thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H19ClN5O3S2+ MolecularWeight: 464.96886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O3S2/c1-23-6-8-24(9-7-23)14-3-2-12(10-15(14)25(27)28)18(26)22-19-21-13(11-29-19)16-4-5-17(20)30-16/h2-5,10-11H,6-9H2,1H3,(H,21,22,26)/p+1