8-[[3-[1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-(2-pyridylcarbamoyl)propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[1-oxo-1-(2-pyridinylamino)butan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-(2-pyridylcarbamoyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=N1)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=N1)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C27H23N3O4S/c1-2-22(26(32)30-23-14-3-4-15-28-23)35-19-11-7-10-18(16-19)29-25(31)20-12-5-8-17-9-6-13-21(24(17)20)27(33)34/h3-16,22H,2H2,1H3,(H,29,31)(H,33,34)(H,28,30,32)