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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-2-3-4-9-18(25)24-20(27)22-13-10-11-17-16(12-13)23-19(26-17)14-7-5-6-8-15(14)21/h5-8,10-12H,2-4,9H2,1H3,(H2,22,24,25,27)