2-[[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[1-methyl-2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-1-methyl-2-(4-pyridylamino)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H19N3O4S/c1-14(20(26)24-16-10-12-23-13-11-16)30-17-8-6-15(7-9-17)25-21(27)18-4-2-3-5-19(18)22(28)29/h2-14H,1H3,(H,25,27)(H,28,29)(H,23,24,26)