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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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