2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzamide

Systemtic Name: 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzamide Openeye Name: 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzamide CAS Name: 2-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxobutyl]amino]benzamide IUPAC Name: 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzamide Traditional Name: 2-[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]butanoylamino]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-5-19(22(29)26-18-12-7-6-11-17(18)21(24)28)30-16-10-8-9-15(13-16)25-20(27)14-23(2,3)4/h6-13,19H,5,14H2,1-4H3,(H2,24,28)(H,25,27)(H,26,29)