N-cyclohexyl-4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]-prop-2-enyl-amino]pentanethioamide

Systemtic Name: N-cyclohexyl-4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]-prop-2-enyl-amino]pentanethioamide Openeye Name: 2-[N-allyl-2-nitro-4-(trifluoromethyl)anilino]-N-cyclohexyl-4-methyl-pentanethioamide CAS Name: N-cyclohexyl-4-methyl-2-[2-nitro-N-prop-2-enyl-4-(trifluoromethyl)anilino]pentanethioamide IUPAC Name: N-cyclohexyl-4-methyl-2-[2-nitro-N-prop-2-enyl-4-(trifluoromethyl)anilino]pentanethioamide Traditional Name: 2-[N-allyl-2-nitro-4-(trifluoromethyl)anilino]-N-cyclohexyl-4-methyl-thiovaleramide Formula: C22H30F3N3O2S MolecularWeight: 457.55271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NC1CCCCC1)N(CC=C)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=S)NC1CCCCC1)N(CC=C)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H30F3N3O2S/c1-4-12-27(18-11-10-16(22(23,24)25)14-19(18)28(29)30)20(13-15(2)3)21(31)26-17-8-6-5-7-9-17/h4,10-11,14-15,17,20H,1,5-9,12-13H2,2-3H3,(H,26,31)