5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-2-fluoranyl-benzamide

Systemtic Name: 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-2-fluoranyl-benzamide Openeye Name: 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]-2-fluoro-benzamide CAS Name: 5-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-2-fluorobenzamide IUPAC Name: 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]-2-fluorobenzamide Traditional Name: 5-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]amino]-2-fluoro-benzamide Formula: C22H16FN3O3S MolecularWeight: 421.444143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NC4=CC(=C(C=C4)F)C(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NC4=CC(=C(C=C4)F)C(=O)N

InChI

InChI=1S/C22H16FN3O3S/c23-17-10-9-14(11-16(17)20(24)27)25-21(28)15-6-2-1-5-13(15)12-30-22-26-18-7-3-4-8-19(18)29-22/h1-11H,12H2,(H2,24,27)(H,25,28)