(2,3,4,5,6-pentamethylphenyl)methyl N'-(4-fluorophenyl)carbamimidothioate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl N'-(4-fluorophenyl)carbamimidothioate Openeye Name: 3-(4-fluorophenyl)-2-[(2,3,4,5,6-pentamethylphenyl)methyl]isothiourea CAS Name: N'-(4-fluorophenyl)carbamimidothioic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl N'-(4-fluorophenyl)carbamimidothioate Traditional Name: 3-(4-fluorophenyl)-2-(2,3,4,5,6-pentamethylbenzyl)isothiourea Formula: C19H23FN2S MolecularWeight: 330.462723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC(=NC2=CC=C(C=C2)F)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC(=NC2=CC=C(C=C2)F)N)C)C

InChI

InChI=1S/C19H23FN2S/c1-11-12(2)14(4)18(15(5)13(11)3)10-23-19(21)22-17-8-6-16(20)7-9-17/h6-9H,10H2,1-5H3,(H2,21,22)