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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[3-(phenylmethyl)-1,3-thiazol-2-ylidene]benzamide Openeye Name: N-(3-benzylthiazol-2-ylidene)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-[3-(phenylmethyl)-2-thiazolylidene]benzamide IUPAC Name: N-(3-benzyl-1,3-thiazol-2-ylidene)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(3-benzyl-4-thiazolin-2-ylidene)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N=C3N(C=CS3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N=C3N(C=CS3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-24-9-11-25(12-10-24)19-8-7-18(15-20(19)27(29)30)21(28)23-22-26(13-14-31-22)16-17-5-3-2-4-6-17/h2-8,13-15H,9-12,16H2,1H3/p+1