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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C26H28N2O2S MolecularWeight: 432.57772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O2S/c1-4-23(26(30)28-25-18(2)10-8-11-19(25)3)31-22-15-9-14-21(17-22)27-24(29)16-20-12-6-5-7-13-20/h5-15,17,23H,4,16H2,1-3H3,(H,27,29)(H,28,30)