bis(4-fluorophenyl)methyl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate

Systemtic Name: bis(4-fluorophenyl)methyl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 2-[bis(4-fluorophenyl)methyl]-3-[(1S)-1,5-dimethylhexyl]isothiourea CAS Name: N'-[(2S)-6-methylheptan-2-yl]carbamimidothioic acid bis(4-fluorophenyl)methyl ester IUPAC Name: bis(4-fluorophenyl)methyl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 2-[bis(4-fluorophenyl)methyl]-3-[(1S)-1,5-dimethylhexyl]isothiourea Formula: C22H28F2N2S MolecularWeight: 390.532926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N=C(N)SC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](CCCC(C)C)N=C(N)SC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H28F2N2S/c1-15(2)5-4-6-16(3)26-22(25)27-21(17-7-11-19(23)12-8-17)18-9-13-20(24)14-10-18/h7-16,21H,4-6H2,1-3H3,(H2,25,26)/t16-/m0/s1