N-(4-ethoxyphenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-ethoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(4-ethoxyphenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(4-ethoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: 2-[[3-[(2-phenylacetyl)amino]phenyl]thio]-N-p-phenetyl-butyramide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OCC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OCC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3S/c1-3-24(26(30)28-20-13-15-22(16-14-20)31-4-2)32-23-12-8-11-21(18-23)27-25(29)17-19-9-6-5-7-10-19/h5-16,18,24H,3-4,17H2,1-2H3,(H,27,29)(H,28,30)