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

Systemtic Name: 3-bromanyl-4-methoxy-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-methoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: 3-bromo-4-methoxy-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-methoxy-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C14H19BrN3O2S+ MolecularWeight: 373.28856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O2S/c1-17-5-7-18(8-6-17)14(21)16-13(19)10-3-4-12(20-2)11(15)9-10/h3-4,9H,5-8H2,1-2H3,(H,16,19,21)/p+1