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

Systemtic Name: butyl 4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4S/c1-6-8-16-33-26(32)19-12-14-20(15-13-19)29-25(31)23(7-2)34-22-11-9-10-21(17-22)28-24(30)18-27(3,4)5/h9-15,17,23H,6-8,16,18H2,1-5H3,(H,28,30)(H,29,31)