N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C22H26N7O2S2+ MolecularWeight: 484.61754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C22H25N7O2S2/c1-16-15-17(2)25-21(24-16)27-33(30,31)19-8-6-18(7-9-19)26-22(32)29-13-11-28(12-14-29)20-5-3-4-10-23-20/h3-10,15H,11-14H2,1-2H3,(H,26,32)(H,24,25,27)/p+1