2-[3-(butanoylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[[3-(1-oxobutylamino)phenyl]thio]-N-[2-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-[2-(trifluoromethyl)phenyl]butyramide Formula: C21H23F3N2O2S MolecularWeight: 424.47973

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H23F3N2O2S/c1-3-8-19(27)25-14-9-7-10-15(13-14)29-18(4-2)20(28)26-17-12-6-5-11-16(17)21(22,23)24/h5-7,9-13,18H,3-4,8H2,1-2H3,(H,25,27)(H,26,28)