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

Systemtic Name: N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[2-(5-bromo-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2S/c1-12(2)20(27)26-22(29)24-13-9-10-19-18(11-13)25-21(28-19)16-7-3-6-15-14(16)5-4-8-17(15)23/h3-12H,1-2H3,(H2,24,26,27,29)