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

Systemtic Name: 1-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-phenethyl-thiourea Openeye Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenethyl-thiourea CAS Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenethylthiourea IUPAC Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenethylthiourea Traditional Name: 1-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenethyl-thiourea Formula: C18H19F3N4O2S MolecularWeight: 412.42927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N4O2S/c19-18(20,21)14-6-7-15(16(12-14)25(26)27)22-10-11-24-17(28)23-9-8-13-4-2-1-3-5-13/h1-7,12,22H,8-11H2,(H2,23,24,28)