N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-(4-bromophenoxy)acetamide Formula: C22H16BrN3O3S MolecularWeight: 482.34974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O3S/c23-15-7-11-17(12-8-15)28-13-20(27)26-22(30)24-16-9-5-14(6-10-16)21-25-18-3-1-2-4-19(18)29-21/h1-12H,13H2,(H2,24,26,27,30)