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

Systemtic Name: N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(2-phenyl-4-quinolinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]hexanamide Traditional Name: N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]hexanamide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O2S/c1-2-3-5-14-27(34)33-29(36)30-20-15-16-26-25(17-20)32-28(35-26)22-18-24(19-10-6-4-7-11-19)31-23-13-9-8-12-21(22)23/h4,6-13,15-18H,2-3,5,14H2,1H3,(H2,30,33,34,36)