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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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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=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H17N3O3S/c26-20(14-27-17-9-2-1-3-10-17)25-22(29)23-16-8-6-7-15(13-16)21-24-18-11-4-5-12-19(18)28-21/h1-13H,14H2,(H2,23,25,26,29)