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

Systemtic Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]hexanamide Openeye Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]hexanamide CAS Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]hexanamide Traditional Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]hexanamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-5-6-7-8-21(27)26-23(30)25-18-13-16(9-10-19(18)28-4)22-24-17-11-14(2)15(3)12-20(17)29-22/h9-13H,5-8H2,1-4H3,(H2,25,26,27,30)