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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-carbothioamide Formula: C20H24ClFN3S+ MolecularWeight: 392.941063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23ClFN3S/c1-15-18(21)4-2-5-19(15)23-20(26)25-11-3-10-24(12-13-25)14-16-6-8-17(22)9-7-16/h2,4-9H,3,10-14H2,1H3,(H,23,26)/p+1