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

Systemtic Name: ethyl N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-benzyl-2-ethyl-1-[(4-fluorophenyl)methyl]isothiourea CAS Name: N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N-benzyl-N-[(4-fluorophenyl)methyl]-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-benzyl-2-ethyl-1-(4-fluorobenzyl)isothiourea Formula: C20H23FN2S MolecularWeight: 342.473423

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NCC=C)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F

Isomeric SMILES

CCSC(=NCC=C)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN2S/c1-3-14-22-20(24-4-2)23(15-17-8-6-5-7-9-17)16-18-10-12-19(21)13-11-18/h3,5-13H,1,4,14-16H2,2H3