N-(3-fluoranyl-4-methyl-phenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-fluorobenzyl)-N-(3-fluoro-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide Formula: C19H22F2N3S+ MolecularWeight: 362.459886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3F)F

InChI

InChI=1S/C19H21F2N3S/c1-14-6-7-16(12-18(14)21)22-19(25)24-10-8-23(9-11-24)13-15-4-2-3-5-17(15)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1