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

Systemtic Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(5,6-dimethyl-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=CC=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=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)23-17-10-8-16(9-11-17)21-24-18-12-14(2)15(3)13-19(18)27-21/h8-13H,4-7H2,1-3H3,(H2,23,25,26,28)