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

Systemtic Name: N-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-carbothioamide Formula: C19H22ClFN3S+ MolecularWeight: 378.914483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3S/c20-16-4-8-18(9-5-16)22-19(25)24-11-1-10-23(12-13-24)14-15-2-6-17(21)7-3-15/h2-9H,1,10-14H2,(H,22,25)/p+1