N-(3-fluoranyl-4-methyl-phenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbothioamide Formula: C18H26FN4O2S+ MolecularWeight: 381.488043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCOCC3)F

InChI

InChI=1S/C18H25FN4O2S/c1-14-2-3-15(12-16(14)19)20-18(26)23-6-4-21(5-7-23)13-17(24)22-8-10-25-11-9-22/h2-3,12H,4-11,13H2,1H3,(H,20,26)/p+1