4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-tosyl-piperazine-1-carbothioamide Formula: C18H29N4O3S2+ MolecularWeight: 413.57786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H28N4O3S2/c1-16-2-4-17(5-3-16)27(23,24)22-10-8-21(9-11-22)18(26)19-6-7-20-12-14-25-15-13-20/h2-5H,6-15H2,1H3,(H,19,26)/p+1