3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanethioylamino]benzoic acid

Systemtic Name: 3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanethioylamino]benzoic acid Openeye Name: 3-[[2-(4-isopropyl-3-methyl-phenoxy)ethanethioyl]amino]benzoic acid CAS Name: 3-[[2-(3-methyl-4-propan-2-ylphenoxy)-1-sulfanylideneethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-methyl-4-propan-2-ylphenoxy)ethanethioyl]amino]benzoic acid Traditional Name: 3-[[2-(4-isopropyl-3-methyl-phenoxy)thioacetyl]amino]benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=S)NC2=CC=CC(=C2)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=S)NC2=CC=CC(=C2)C(=O)O)C(C)C

InChI

InChI=1S/C19H21NO3S/c1-12(2)17-8-7-16(9-13(17)3)23-11-18(24)20-15-6-4-5-14(10-15)19(21)22/h4-10,12H,11H2,1-3H3,(H,20,24)(H,21,22)