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

Systemtic Name: N-(4-butoxyphenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C28H32N2O3S MolecularWeight: 476.63028

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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)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O3S/c1-3-5-18-33-24-16-14-22(15-17-24)30-28(32)26(4-2)34-25-13-9-12-23(20-25)29-27(31)19-21-10-7-6-8-11-21/h6-17,20,26H,3-5,18-19H2,1-2H3,(H,29,31)(H,30,32)