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

Systemtic Name: propyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-propyl-3-[4-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[4-(trifluoromethyl)phenyl]carbamimidothioic acid propyl ester IUPAC Name: propyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-propyl-3-[4-(trifluoromethyl)phenyl]isothiourea Formula: C11H13F3N2S MolecularWeight: 262.29453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=NC1=CC=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CCCSC(=NC1=CC=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C11H13F3N2S/c1-2-7-17-10(15)16-9-5-3-8(4-6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16)