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

Systemtic Name: N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C22H23BrN5O3S+ MolecularWeight: 517.41872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN5O3S/c1-14-20(15-3-6-17(23)7-4-15)24-22(32-14)25-21(29)16-5-8-18(19(13-16)28(30)31)27-11-9-26(2)10-12-27/h3-8,13H,9-12H2,1-2H3,(H,24,25,29)/p+1