2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(4-p-phenetylsulfonylpiperazine-1-carbothioyl)amino]ethyl]ammonium Formula: C17H29N4O3S2+ MolecularWeight: 401.56716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+](C)C

InChI

InChI=1S/C17H28N4O3S2/c1-4-24-15-5-7-16(8-6-15)26(22,23)21-13-11-20(12-14-21)17(25)18-9-10-19(2)3/h5-8H,4,9-14H2,1-3H3,(H,18,25)/p+1