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

Systemtic Name: 1-cyclopropyl-3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]thiourea Openeye Name: 1-cyclopropyl-3-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thiourea CAS Name: 1-cyclopropyl-3-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thiourea IUPAC Name: 1-cyclopropyl-3-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thiourea Traditional Name: 1-cyclopropyl-3-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thiourea Formula: C13H15F3N4O2S MolecularWeight: 348.34401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=S)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N4O2S/c14-13(15,16)8-1-4-10(11(7-8)20(21)22)17-5-6-18-12(23)19-9-2-3-9/h1,4,7,9,17H,2-3,5-6H2,(H2,18,19,23)