4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[[2-(isoamylamino)-2-keto-ethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C21H22F3N3O4S MolecularWeight: 469.47729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N3O4S/c1-13(2)9-10-25-19(28)12-32-18-8-7-14(11-17(18)27(30)31)20(29)26-16-6-4-3-5-15(16)21(22,23)24/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,28)(H,26,29)