N-(4-butoxyphenyl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butyramide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O4S/c1-3-5-18-33-24-16-14-21(15-17-24)30-28(32)26(4-2)35-25-13-9-10-22(19-25)29-27(31)20-34-23-11-7-6-8-12-23/h6-17,19,26H,3-5,18,20H2,1-2H3,(H,29,31)(H,30,32)