4-(3-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(3-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-(3-fluorophenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C17H26FN4O3S2+ MolecularWeight: 417.541743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN4O3S2/c18-15-2-1-3-16(14-15)27(23,24)22-8-6-21(7-9-22)17(26)19-4-5-20-10-12-25-13-11-20/h1-3,14H,4-13H2,(H,19,26)/p+1