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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=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=C(C=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)29-20-13-15-22(16-14-20)34-24(18-7-5-4-6-8-18)26(33)30-21-11-9-19(10-12-21)25(28)32/h4-16,24H,17H2,1-3H3,(H2,28,32)(H,29,31)(H,30,33)