3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]propanethioamide

Systemtic Name: 3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]propanethioamide Openeye Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanethioamide CAS Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanethioamide IUPAC Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanethioamide Traditional Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)thiopropionamide Formula: C16H14F3N5O4S MolecularWeight: 429.37367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N5O4S/c17-16(18,19)10-8-12(23(25)26)15(13(9-10)24(27)28)21-22(7-6-14(20)29)11-4-2-1-3-5-11/h1-5,8-9,21H,6-7H2,(H2,20,29)