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

Systemtic Name: N-(4-butoxyphenyl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]propionamide Formula: C27H30N2O4S MolecularWeight: 478.6031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S/c1-3-4-17-32-24-15-13-21(14-16-24)29-27(31)20(2)34-25-12-8-9-22(18-25)28-26(30)19-33-23-10-6-5-7-11-23/h5-16,18,20H,3-4,17,19H2,1-2H3,(H,28,30)(H,29,31)