N-(3-chloranyl-4-fluoranyl-phenyl)-3-(phenylmethyl)imidazolidin-3-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(phenylmethyl)imidazolidin-3-ium-1-carbothioamide Openeye Name: 3-benzyl-N-(3-chloro-4-fluoro-phenyl)imidazolidin-3-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(phenylmethyl)-1-imidazolidin-3-iumcarbothioamide IUPAC Name: 3-benzyl-N-(3-chloro-4-fluorophenyl)imidazolidin-3-ium-1-carbothioamide Traditional Name: 3-benzyl-N-(3-chloro-4-fluoro-phenyl)imidazolidin-3-ium-1-carbothioamide Formula: C17H18ClFN3S+ MolecularWeight: 350.861323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(C[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H17ClFN3S/c18-15-10-14(6-7-16(15)19)20-17(23)22-9-8-21(12-22)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,23)/p+1