4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-tosyl-piperazine-1-carbothioamide Formula: C19H31N4O3S2+ MolecularWeight: 427.60444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3S2/c1-17-3-5-18(6-4-17)28(24,25)23-11-9-22(10-12-23)19(27)20-7-2-8-21-13-15-26-16-14-21/h3-6H,2,7-16H2,1H3,(H,20,27)/p+1