(phenylmethyl) N'-[4-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (phenylmethyl) N'-[4-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-benzyl-3-[4-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[4-(trifluoromethyl)phenyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-benzyl-3-[4-(trifluoromethyl)phenyl]isothiourea Formula: C15H13F3N2S MolecularWeight: 310.33733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N2S/c16-15(17,18)12-6-8-13(9-7-12)20-14(19)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)