N-(3-fluoranyl-4-methyl-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C14H21FN3S+ MolecularWeight: 282.400043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCC[NH+](CC2)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC[NH+](CC2)C)F

InChI

InChI=1S/C14H20FN3S/c1-11-4-5-12(10-13(11)15)16-14(19)18-7-3-6-17(2)8-9-18/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)/p+1