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

Systemtic Name: 1-(3-morpholin-4-ylpropyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]thiourea Openeye Name: 1-(3-morpholinopropyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea CAS Name: 1-[3-(4-morpholinyl)propyl]-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea IUPAC Name: 1-(3-morpholin-4-ylpropyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Traditional Name: 1-(3-morpholinopropyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Formula: C15H20F3N5O3S MolecularWeight: 407.41121

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H20F3N5O3S/c16-15(17,18)11-2-3-12(13(10-11)23(24)25)20-21-14(27)19-4-1-5-22-6-8-26-9-7-22/h2-3,10,20H,1,4-9H2,(H2,19,21,27)