N-(3-morpholin-4-ium-4-ylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C22H37N4O3S2+ MolecularWeight: 469.68418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3)C)C

InChI

InChI=1S/C22H36N4O3S2/c1-17-16-18(2)20(4)21(19(17)3)31(27,28)26-10-8-25(9-11-26)22(30)23-6-5-7-24-12-14-29-15-13-24/h16H,5-15H2,1-4H3,(H,23,30)/p+1