N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-2-phenoxy-acetamide Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C26H19N3O3S/c30-23(16-31-20-10-2-1-3-11-20)28-26(33)27-19-9-6-8-18(15-19)25-29-24-21-12-5-4-7-17(21)13-14-22(24)32-25/h1-15H,16H2,(H2,27,28,30,33)