2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(2,6-dimethylphenyl)butyramide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-5-9-20(25)23-17-12-8-13-18(14-17)27-19(6-2)22(26)24-21-15(3)10-7-11-16(21)4/h7-8,10-14,19H,5-6,9H2,1-4H3,(H,23,25)(H,24,26)