8-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[(2-fluorophenyl)methylthio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(2-fluorobenzyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C25H18FNO3S MolecularWeight: 431.478723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O)F

InChI

InChI=1S/C25H18FNO3S/c26-22-10-2-1-5-17(22)15-31-19-13-11-18(12-14-19)27-24(28)20-8-3-6-16-7-4-9-21(23(16)20)25(29)30/h1-14H,15H2,(H,27,28)(H,29,30)