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

Systemtic Name: phenethyl N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-benzyl-1-[(4-fluorophenyl)methyl]-2-phenethyl-isothiourea CAS Name: N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid phenethyl ester IUPAC Name: phenethyl N-benzyl-N-[(4-fluorophenyl)methyl]-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-benzyl-1-(4-fluorobenzyl)-2-phenethyl-isothiourea Formula: C26H27FN2S MolecularWeight: 418.569383

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F)SCCC3=CC=CC=C3

Isomeric SMILES

C=CCN=C(N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F)SCCC3=CC=CC=C3

InChI

InChI=1S/C26H27FN2S/c1-2-18-28-26(30-19-17-22-9-5-3-6-10-22)29(20-23-11-7-4-8-12-23)21-24-13-15-25(27)16-14-24/h2-16H,1,17-21H2