N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-(2-thienyl)butanamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-(2-thienyl)butyramide Formula: C17H18F3N3O3S MolecularWeight: 401.40333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCCC(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N3O3S/c18-17(19,20)12-6-7-14(15(11-12)23(25)26)21-8-9-22-16(24)5-1-3-13-4-2-10-27-13/h2,4,6-7,10-11,21H,1,3,5,8-9H2,(H,22,24)