N-(3-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-[(4-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-(4-fluorobenzyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C19H22ClFN3S+ MolecularWeight: 378.914483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21ClFN3S/c1-14-17(20)4-2-5-18(14)22-19(25)24-11-3-10-23(13-24)12-15-6-8-16(21)9-7-15/h2,4-9H,3,10-13H2,1H3,(H,22,25)/p+1