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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[(4-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-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=C(C=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3S/c1-14-3-8-17(11-18(14)20)22-19(25)24-10-2-9-23(13-24)12-15-4-6-16(21)7-5-15/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,25)/p+1