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

Systemtic Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(3-bromoanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(3-bromophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C17H26BrN4OS+ MolecularWeight: 414.38354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN4OS/c1-17(2,3)20-15(23)12-21-7-9-22(10-8-21)16(24)19-14-6-4-5-13(18)11-14/h4-6,11H,7-10,12H2,1-3H3,(H,19,24)(H,20,23)/p+1