N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C18H18F3N3O2S/c1-10-4-6-14(11(2)8-10)23-17(26)24-16(25)12(3)27-15-7-5-13(9-22-15)18(19,20)21/h4-9,12H,1-3H3,(H2,23,24,25,26)