2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(3-bromoanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-[(3-bromophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C16H24BrN4O2S+ MolecularWeight: 416.35636

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

COCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H23BrN4O2S/c1-23-10-5-18-15(22)12-20-6-8-21(9-7-20)16(24)19-14-4-2-3-13(17)11-14/h2-4,11H,5-10,12H2,1H3,(H,18,22)(H,19,24)/p+1