methyl 2-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid methyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C28H30N2O4S/c1-28(2,3)18-24(31)29-20-14-16-21(17-15-20)35-25(19-10-6-5-7-11-19)26(32)30-23-13-9-8-12-22(23)27(33)34-4/h5-17,25H,18H2,1-4H3,(H,29,31)(H,30,32)