4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide

Systemtic Name: 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide Openeye Name: 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzamide CAS Name: 4-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzamide IUPAC Name: 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzamide Traditional Name: 4-[[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C27H29N3O3S/c1-27(2,3)17-23(31)29-21-10-7-11-22(16-21)34-24(18-8-5-4-6-9-18)26(33)30-20-14-12-19(13-15-20)25(28)32/h4-16,24H,17H2,1-3H3,(H2,28,32)(H,29,31)(H,30,33)