N-[[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)CC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C24H20ClN3O2S/c1-14-10-15(2)22-20(11-14)27-23(30-22)18-13-17(8-9-19(18)25)26-24(31)28-21(29)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,26,28,29,31)