N-(2-ethyl-6-methyl-phenyl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]propionamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3)C

InChI

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