1-[2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-(3-fluorophenyl)thiourea

Systemtic Name: 1-[2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-(3-fluorophenyl)thiourea Openeye Name: 1-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-fluorophenyl)thiourea CAS Name: 1-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-fluorophenyl)thiourea IUPAC Name: 1-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-fluorophenyl)thiourea Traditional Name: 1-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-fluorophenyl)thiourea Formula: C16H13F4N5O4S MolecularWeight: 447.364133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC(=S)NCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)NC(=S)NCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F4N5O4S/c17-10-2-1-3-11(8-10)23-15(30)22-5-4-21-14-12(24(26)27)6-9(16(18,19)20)7-13(14)25(28)29/h1-3,6-8,21H,4-5H2,(H2,22,23,30)