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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

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