4-phenethyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-phenethyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-phenethyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-phenethyl-N-(4-sulfamoylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-phenethyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-phenethyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Formula: C19H25N4O2S2+ MolecularWeight: 405.5574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H24N4O2S2/c20-27(24,25)18-8-6-17(7-9-18)21-19(26)23-14-12-22(13-15-23)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,26)(H2,20,24,25)/p+1