1-[3,5-bis(trifluoromethyl)phenyl]-1-(tert-butylamino)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-(tert-butylamino)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-(tert-butylamino)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-(tert-butylamino)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-(tert-butylamino)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1-(tert-butylamino)thiourea Formula: C13H15F6N3S MolecularWeight: 359.333719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NN(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=S)N

Isomeric SMILES

CC(C)(C)NN(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=S)N

InChI

InChI=1S/C13H15F6N3S/c1-11(2,3)21-22(10(20)23)9-5-7(12(14,15)16)4-8(6-9)13(17,18)19/h4-6,21H,1-3H3,(H2,20,23)