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

Systemtic Name: N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]hexanamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-3-4-5-6-19(26)25-21(28)23-14-8-9-16(22)15(12-14)20-24-17-10-7-13(2)11-18(17)27-20/h7-12H,3-6H2,1-2H3,(H2,23,25,26,28)