N-(3-fluoranyl-4-methyl-phenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C17H22FN4OS+ MolecularWeight: 349.446183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=NOC(=C3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=NOC(=C3)C)F

InChI

InChI=1S/C17H21FN4OS/c1-12-3-4-14(10-16(12)18)19-17(24)22-7-5-21(6-8-22)11-15-9-13(2)23-20-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,24)/p+1