2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,4-dimethoxyphenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,4-dimethoxyphenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,4-dimethoxyphenyl)butanamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,4-dimethoxyphenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(2,4-dimethoxyphenyl)butyramide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-5-8-21(25)23-15-9-7-10-17(13-15)29-20(6-2)22(26)24-18-12-11-16(27-3)14-19(18)28-4/h7,9-14,20H,5-6,8H2,1-4H3,(H,23,25)(H,24,26)