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

Systemtic Name: N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]hexanamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-2-3-4-5-18(25)24-20(27)22-15-9-6-13(7-10-15)19-23-16-12-14(21)8-11-17(16)26-19/h6-12H,2-5H2,1H3,(H2,22,24,25,27)