N-(4-methylpiperazin-4-ium-1-yl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C17H24N7O2S+ MolecularWeight: 390.48316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C17H23N7O2S/c1-22-7-9-24(10-8-22)21-16(26)13-3-5-14(6-4-13)19-15(25)11-27-17-20-18-12-23(17)2/h3-6,12H,7-11H2,1-2H3,(H,19,25)(H,21,26)/p+1