4-[(3-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-m-anisyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Formula: C19H25N4O3S2+ MolecularWeight: 421.5568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H24N4O3S2/c1-26-17-4-2-3-15(13-17)14-22-9-11-23(12-10-22)19(27)21-16-5-7-18(8-6-16)28(20,24)25/h2-8,13H,9-12,14H2,1H3,(H,21,27)(H2,20,24,25)/p+1