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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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