4-chloranyl-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-pentanamide

Systemtic Name: 4-chloranyl-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-pentanamide Openeye Name: 4-chloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-pentanamide CAS Name: 4-chloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: 4-chloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylpentanamide Traditional Name: 4-chloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methyl-valeramide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(C)(C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(C)(C)Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-13-11-17-18(12-14(13)2)28-20(25-17)15-5-7-16(8-6-15)24-21(29)26-19(27)9-10-22(3,4)23/h5-8,11-12H,9-10H2,1-4H3,(H2,24,26,27,29)