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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O2S/c26-20(13-15-7-2-1-3-8-15)25-22(28)23-17-10-6-9-16(14-17)21-24-18-11-4-5-12-19(18)27-21/h1-12,14H,13H2,(H2,23,25,26,28)