3-(cyclohexylmethylcarbamothioylamino)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide

Systemtic Name: 3-(cyclohexylmethylcarbamothioylamino)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: 3-(cyclohexylmethylcarbamothioylamino)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-[[(cyclohexylmethylamino)-sulfanylidenemethyl]amino]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(cyclohexylmethylcarbamothioylamino)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(cyclohexylmethylthiocarbamoylamino)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C19H25F3N4O4S MolecularWeight: 462.48641

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=S)NCC1CCCCC1)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC(CNC(=S)NCC1CCCCC1)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C19H25F3N4O4S/c1-18(28,11-24-17(31)23-10-12-5-3-2-4-6-12)16(27)25-13-7-8-15(26(29)30)14(9-13)19(20,21)22/h7-9,12,28H,2-6,10-11H2,1H3,(H,25,27)(H2,23,24,31)