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

Systemtic Name: 4-chloranyl-N-[[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-pentanamide Openeye Name: 4-chloro-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-pentanamide CAS Name: 4-chloro-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: 4-chloro-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylpentanamide Traditional Name: 4-chloro-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methyl-valeramide Formula: C22H23Cl2N3O2S MolecularWeight: 464.40792

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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)CCC(C)(C)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N3O2S/c1-12-9-13(2)19-17(10-12)26-20(29-19)15-11-14(5-6-16(15)23)25-21(30)27-18(28)7-8-22(3,4)24/h5-6,9-11H,7-8H2,1-4H3,(H2,25,27,28,30)