(phenylmethyl) N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: (phenylmethyl) N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1,2-dibenzyl-1-[(4-fluorophenyl)methyl]isothiourea CAS Name: N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-benzyl-N-[(4-fluorophenyl)methyl]-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1,2-dibenzyl-1-(4-fluorobenzyl)isothiourea Formula: C25H25FN2S MolecularWeight: 404.542803

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F)SCC3=CC=CC=C3

Isomeric SMILES

C=CCN=C(N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F)SCC3=CC=CC=C3

InChI

InChI=1S/C25H25FN2S/c1-2-17-27-25(29-20-23-11-7-4-8-12-23)28(18-21-9-5-3-6-10-21)19-22-13-15-24(26)16-14-22/h2-16H,1,17-20H2