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

Systemtic Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(3-bromoanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(3-bromophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(3-bromophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C16H22BrN4OS+ MolecularWeight: 398.34108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H21BrN4OS/c17-12-2-1-3-14(10-12)19-16(23)21-8-6-20(7-9-21)11-15(22)18-13-4-5-13/h1-3,10,13H,4-9,11H2,(H,18,22)(H,19,23)/p+1