2-bromanyl-N-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbothioyl]benzamide Openeye Name: 2-bromo-N-(4-methyl-1,4-diazepan-4-ium-1-carbothioyl)benzamide CAS Name: 2-bromo-N-[(4-methyl-1,4-diazepan-4-ium-1-yl)-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-(4-methyl-1,4-diazepan-4-ium-1-carbothioyl)benzamide Traditional Name: 2-bromo-N-(4-methyl-1,4-diazepan-4-ium-1-carbothioyl)benzamide Formula: C14H19BrN3OS+ MolecularWeight: 357.28916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C14H18BrN3OS/c1-17-7-4-8-18(10-9-17)14(20)16-13(19)11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,16,19,20)/p+1