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

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: 2-phenyl-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: 2-phenyl-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C26H25N3O2S MolecularWeight: 443.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-3-17(2)20-11-14-23-22(16-20)28-25(31-23)19-9-12-21(13-10-19)27-26(32)29-24(30)15-18-7-5-4-6-8-18/h4-14,16-17H,3,15H2,1-2H3,(H2,27,29,30,32)