4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-[4-(4-fluorophenyl)thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-[4-(4-fluorophenyl)-2-thiazolyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-[4-(4-fluorophenyl)thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C21H29FN5OS2+ MolecularWeight: 450.616263

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H28FN5OS2/c22-18-4-2-17(3-5-18)19-16-30-21(24-19)27-10-8-26(9-11-27)20(29)23-6-1-7-25-12-14-28-15-13-25/h2-5,16H,1,6-15H2,(H,23,29)/p+1