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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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