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

Systemtic Name: butyl 4-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C26H34N2O4S/c1-6-7-16-32-25(31)19-8-10-21(11-9-19)28-24(30)18(2)33-22-14-12-20(13-15-22)27-23(29)17-26(3,4)5/h8-15,18H,6-7,16-17H2,1-5H3,(H,27,29)(H,28,30)