1-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-propyl-thiourea

Systemtic Name: 1-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-propyl-thiourea Openeye Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-propyl-thiourea CAS Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-propylthiourea IUPAC Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-propylthiourea Traditional Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-propyl-thiourea Formula: C13H17F3N4O2S MolecularWeight: 350.35989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=S)NCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H17F3N4O2S/c1-2-5-18-12(23)19-7-6-17-10-4-3-9(13(14,15)16)8-11(10)20(21)22/h3-4,8,17H,2,5-7H2,1H3,(H2,18,19,23)