4-[(2,4-dichlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: 4-[(2,4-dichlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carbothioamide CAS Name: 4-[(2,4-dichlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: 4-(2,4-dichlorobenzyl)-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carbothioamide Formula: C19H21Cl2FN3S+ MolecularWeight: 413.359543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=S)NC2=CC=C(C=C2)F)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=S)NC2=CC=C(C=C2)F)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H20Cl2FN3S/c20-15-3-2-14(18(21)12-15)13-24-8-1-9-25(11-10-24)19(26)23-17-6-4-16(22)5-7-17/h2-7,12H,1,8-11,13H2,(H,23,26)/p+1