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

Systemtic Name: 2-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzamide Openeye Name: 2-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzamide CAS Name: 2-[[2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzamide Traditional Name: 2-[2-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]propanoylamino]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H27N3O3S/c1-14(21(28)25-18-8-6-5-7-17(18)20(23)27)29-16-11-9-15(10-12-16)24-19(26)13-22(2,3)4/h5-12,14H,13H2,1-4H3,(H2,23,27)(H,24,26)(H,25,28)