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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butyramide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3S/c1-4-20-12-9-11-19(3)26(20)29-27(31)24(5-2)33-23-16-10-13-21(17-23)28-25(30)18-32-22-14-7-6-8-15-22/h6-17,24H,4-5,18H2,1-3H3,(H,28,30)(H,29,31)