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

Systemtic Name: 3-(4-methoxyphenyl)-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoyl]-1-phenyl-pyrazole-4-carboxamide Formula: C23H27N6O2S+ MolecularWeight: 451.56448

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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)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2S/c1-27-12-14-28(15-13-27)26-23(32)24-22(30)20-16-29(18-6-4-3-5-7-18)25-21(20)17-8-10-19(31-2)11-9-17/h3-11,16H,12-15H2,1-2H3,(H2,24,26,30,32)/p+1