methyl N'-(4-fluorophenyl)-N,N-bis(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N'-(4-fluorophenyl)-N,N-bis(phenylmethyl)carbamimidothioate Openeye Name: 1,1-dibenzyl-3-(4-fluorophenyl)-2-methyl-isothiourea CAS Name: N'-(4-fluorophenyl)-N,N-bis(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N-dibenzyl-N'-(4-fluorophenyl)carbamimidothioate Traditional Name: 1,1-dibenzyl-3-(4-fluorophenyl)-2-methyl-isothiourea Formula: C22H21FN2S MolecularWeight: 364.478943

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)F)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)F)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21FN2S/c1-26-22(24-21-14-12-20(23)13-15-21)25(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3