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

Systemtic Name: 3-bromanyl-N-(4-ethylpiperazin-4-ium-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-N-(4-ethylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: 3-bromo-N-[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-(4-ethylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: 3-bromo-N-(4-ethylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C14H19BrN3OS+ MolecularWeight: 357.28916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3OS/c1-2-17-6-8-18(9-7-17)14(20)16-13(19)11-4-3-5-12(15)10-11/h3-5,10H,2,6-9H2,1H3,(H,16,19,20)/p+1