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

Systemtic Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]hexanamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-3-4-5-9-19(25)24-21(27)22-16-8-6-7-15(13-16)20-23-17-12-14(2)10-11-18(17)26-20/h6-8,10-13H,3-5,9H2,1-2H3,(H2,22,24,25,27)