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

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C18H25N6O2S2+ MolecularWeight: 421.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C18H24N6O2S2/c1-13-12-14(2)20-17(19-13)22-28(25,26)16-6-4-15(5-7-16)21-18(27)24-10-8-23(3)9-11-24/h4-7,12H,8-11H2,1-3H3,(H,21,27)(H,19,20,22)/p+1