2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[[3-(1-oxobutylamino)phenyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(4-phenoxyphenyl)butyramide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

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