4-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide Formula: C17H27N4O3S2+ MolecularWeight: 399.55128

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H26N4O3S2/c1-2-19-7-9-20(10-8-19)17(25)18-15-3-5-16(6-4-15)26(22,23)21-11-13-24-14-12-21/h3-6H,2,7-14H2,1H3,(H,18,25)/p+1