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

Systemtic Name: 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-(4-morpholinosulfonylphenyl)piperazin-4-ium-1-carbothioamide Formula: C16H25N4O3S2+ MolecularWeight: 385.5247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3S2/c1-18-6-8-19(9-7-18)16(24)17-14-2-4-15(5-3-14)25(21,22)20-10-12-23-13-11-20/h2-5H,6-13H2,1H3,(H,17,24)/p+1