4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]acetyl]amino]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)12-18(25)24-16-5-4-6-17(11-16)28-13-19(26)23-15-9-7-14(8-10-15)20(22)27/h4-11H,12-13H2,1-3H3,(H2,22,27)(H,23,26)(H,24,25)