4-bromanyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide

Systemtic Name: 4-bromanyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide Openeye Name: 4-bromo-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: 4-bromo-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: 4-bromo-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C13H17BrN3OS+ MolecularWeight: 343.26258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3OS/c1-16-6-8-17(9-7-16)13(19)15-12(18)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,18,19)/p+1