5-bromanyl-2-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide Openeye Name: 5-bromo-2-chloro-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: 5-bromo-2-chloro-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: 5-bromo-2-chloro-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C13H16BrClN3OS+ MolecularWeight: 377.70764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrClN3OS/c1-17-4-6-18(7-5-17)13(20)16-12(19)10-8-9(14)2-3-11(10)15/h2-3,8H,4-7H2,1H3,(H,16,19,20)/p+1