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

Systemtic Name: methyl N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-isothiourea CAS Name: N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-benzyl-N-[(4-fluorophenyl)methyl]-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-benzyl-1-(4-fluorobenzyl)-2-methyl-isothiourea Formula: C19H21FN2S MolecularWeight: 328.446843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2S/c1-3-13-21-19(23-2)22(14-16-7-5-4-6-8-16)15-17-9-11-18(20)12-10-17/h3-12H,1,13-15H2,2H3