(4-tert-butylphenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-(3-chloro-4-fluoro-phenyl)isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-(3-chloro-4-fluoro-phenyl)isothiourea Formula: C18H20ClFN2S MolecularWeight: 350.881203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN2S/c1-18(2,3)13-6-4-12(5-7-13)11-23-17(21)22-14-8-9-16(20)15(19)10-14/h4-10H,11H2,1-3H3,(H2,21,22)