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

Systemtic Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]hexanamide Openeye Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]hexanamide CAS Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]hexanamide Traditional Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]hexanamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-4-5-6-7-20(26)25-22(29)24-17-12-15(9-8-14(17)2)21-23-18-13-16(27-3)10-11-19(18)28-21/h8-13H,4-7H2,1-3H3,(H2,24,25,26,29)