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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C18H29N4O3S2+ MolecularWeight: 413.57786

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H28N4O3S2/c23-27(24,17-5-2-1-3-6-17)22-11-9-21(10-12-22)18(26)19-7-4-8-20-13-15-25-16-14-20/h1-3,5-6H,4,7-16H2,(H,19,26)/p+1