8-[[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[1-methyl-2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-1-methyl-2-(4-pyridylamino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C26H21N3O4S MolecularWeight: 471.52764

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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=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C26H21N3O4S/c1-16(24(30)28-19-12-14-27-15-13-19)34-20-10-8-18(9-11-20)29-25(31)21-6-2-4-17-5-3-7-22(23(17)21)26(32)33/h2-16H,1H3,(H,29,31)(H,32,33)(H,27,28,30)