3-(4-bromophenyl)-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-N-[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-bromophenyl)-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoyl]-1-phenyl-pyrazole-4-carboxamide Formula: C22H24BrN6OS+ MolecularWeight: 500.43456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H23BrN6OS/c1-27-11-13-28(14-12-27)26-22(31)24-21(30)19-15-29(18-5-3-2-4-6-18)25-20(19)16-7-9-17(23)10-8-16/h2-10,15H,11-14H2,1H3,(H2,24,26,30,31)/p+1