2-[[4-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(4-butoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[1-(4-butoxyanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[1-(4-butoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(4-butoxyanilino)-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H28N2O5S/c1-3-4-17-34-21-13-9-19(10-14-21)28-25(30)18(2)35-22-15-11-20(12-16-22)29-26(31)23-7-5-6-8-24(23)27(32)33/h5-16,18H,3-4,17H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)