N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(5-bromo-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]valeramide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C23H20BrN3O2S/c1-2-3-10-21(28)27-23(30)25-14-11-12-20-19(13-14)26-22(29-20)17-8-4-7-16-15(17)6-5-9-18(16)24/h4-9,11-13H,2-3,10H2,1H3,(H2,25,27,28,30)