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

Systemtic Name: butyl 4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C25H32N2O4S/c1-5-6-14-31-24(30)18-10-12-19(13-11-18)26-23(29)17-32-21-9-7-8-20(15-21)27-22(28)16-25(2,3)4/h7-13,15H,5-6,14,16-17H2,1-4H3,(H,26,29)(H,27,28)