N-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]valeramide Formula: C19H17ClFN3O2S MolecularWeight: 405.873583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H17ClFN3O2S/c1-2-3-4-17(25)24-19(27)22-12-6-8-16-15(10-12)23-18(26-16)13-7-5-11(21)9-14(13)20/h5-10H,2-4H2,1H3,(H2,22,24,25,27)