(phenylmethyl) N'-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N'-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)carbamimidothioate Openeye Name: 2-benzyl-3-ethyl-1-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)isothiourea CAS Name: N'-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-ethyl-N-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)carbamimidothioate Traditional Name: 2-benzyl-3-ethyl-1-(4-fluorobenzyl)-1-(1-phenylethyl)isothiourea Formula: C25H27FN2S MolecularWeight: 406.558683

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N(CC1=CC=C(C=C1)F)C(C)C2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCN=C(N(CC1=CC=C(C=C1)F)C(C)C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C25H27FN2S/c1-3-27-25(29-19-22-10-6-4-7-11-22)28(18-21-14-16-24(26)17-15-21)20(2)23-12-8-5-9-13-23/h4-17,20H,3,18-19H2,1-2H3