4-[4-(methylamino)-3-[(3-propan-2-ylphenyl)sulfanylcarbamoylamino]phenoxy]pyridine-2-carboxylic acid

Systemtic Name: 4-[4-(methylamino)-3-[(3-propan-2-ylphenyl)sulfanylcarbamoylamino]phenoxy]pyridine-2-carboxylic acid Openeye Name: 4-[3-[(3-isopropylphenyl)sulfanylcarbamoylamino]-4-(methylamino)phenoxy]pyridine-2-carboxylic acid CAS Name: 4-[4-(methylamino)-3-[[oxo-[[(3-propan-2-ylphenyl)thio]amino]methyl]amino]phenoxy]-2-pyridinecarboxylic acid IUPAC Name: 4-[4-(methylamino)-3-[(3-propan-2-ylphenyl)sulfanylcarbamoylamino]phenoxy]pyridine-2-carboxylic acid Traditional Name: 4-[3-[(m-cumenylthio)carbamoylamino]-4-(methylamino)phenoxy]picolinic acid Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)SNC(=O)NC2=C(C=CC(=C2)OC3=CC(=NC=C3)C(=O)O)NC

Isomeric SMILES

CC(C)C1=CC(=CC=C1)SNC(=O)NC2=C(C=CC(=C2)OC3=CC(=NC=C3)C(=O)O)NC

InChI

InChI=1S/C23H24N4O4S/c1-14(2)15-5-4-6-18(11-15)32-27-23(30)26-20-12-16(7-8-19(20)24-3)31-17-9-10-25-21(13-17)22(28)29/h4-14,24H,1-3H3,(H,28,29)(H2,26,27,30)