N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]hexanamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=C(C=C3)C)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=C(C=C3)C)C

InChI

InChI=1S/C22H25N3O2S/c1-4-5-6-7-20(26)25-22(28)24-18-13-16(10-9-15(18)3)21-23-17-11-8-14(2)12-19(17)27-21/h8-13H,4-7H2,1-3H3,(H2,24,25,26,28)