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

Systemtic Name: 1-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-phenyl-thiourea Openeye Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenyl-thiourea CAS Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenylthiourea IUPAC Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenylthiourea Traditional Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenyl-thiourea Formula: C16H15F3N4O2S MolecularWeight: 384.37611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-6-7-13(14(10-11)23(24)25)20-8-9-21-15(26)22-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2,(H2,21,22,26)