1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methylallyl)thiourea CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methylallyl)thiourea Formula: C12H12F3N5O4S MolecularWeight: 379.31499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N5O4S/c1-6(2)5-16-11(25)18-17-10-8(19(21)22)3-7(12(13,14)15)4-9(10)20(23)24/h3-4,17H,1,5H2,2H3,(H2,16,18,25)