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

Systemtic Name: methyl N-[(2-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-benzyl-1-[(2-fluorophenyl)methyl]-2-methyl-isothiourea CAS Name: N-[(2-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-benzyl-N-[(2-fluorophenyl)methyl]-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-benzyl-1-(2-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=CC=C2F

Isomeric SMILES

CSC(=NCC=C)N(CC1=CC=CC=C1)CC2=CC=CC=C2F

InChI

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