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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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