N-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O2S/c23-16-11-10-15(21-24-17-8-4-5-9-19(17)28-21)13-18(16)25-22(29)26-20(27)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H2,25,26,27,29)