1-(4-butan-2-ylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2S/c1-3-11(2)12-4-6-13(7-5-12)22-17(27)23-16-9-8-14(24(25)26)10-15(16)18(19,20)21/h4-11H,3H2,1-2H3,(H2,22,23,27)