(4-propan-2-ylphenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (4-propan-2-ylphenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(4-isopropylphenyl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-(4-isopropylbenzyl)isothiourea Formula: C17H18ClFN2S MolecularWeight: 336.854623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC(=NC2=CC(=C(C=C2)F)Cl)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC(=NC2=CC(=C(C=C2)F)Cl)N

InChI

InChI=1S/C17H18ClFN2S/c1-11(2)13-5-3-12(4-6-13)10-22-17(20)21-14-7-8-16(19)15(18)9-14/h3-9,11H,10H2,1-2H3,(H2,20,21)