1-(2-morpholin-4-ium-4-ylethyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Formula: C14H19F3N5O3S+ MolecularWeight: 394.39257

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H18F3N5O3S/c15-14(16,17)10-1-2-11(12(9-10)22(23)24)19-20-13(26)18-3-4-21-5-7-25-8-6-21/h1-2,9,19H,3-8H2,(H2,18,20,26)/p+1