1-[(2S)-1-methoxypropan-2-yl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]thiourea

Systemtic Name: 1-[(2S)-1-methoxypropan-2-yl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]thiourea Openeye Name: 1-[(1S)-2-methoxy-1-methyl-ethyl]-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea CAS Name: 1-[(2S)-1-methoxypropan-2-yl]-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea IUPAC Name: 1-[(2S)-1-methoxypropan-2-yl]-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Traditional Name: 1-[(1S)-2-methoxy-1-methyl-ethyl]-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea Formula: C12H15F3N4O3S MolecularWeight: 352.33271

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)NC(=S)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H15F3N4O3S/c1-7(6-22-2)16-11(23)18-17-9-4-3-8(12(13,14)15)5-10(9)19(20)21/h3-5,7,17H,6H2,1-2H3,(H2,16,18,23)/t7-/m0/s1