N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]coumarilamide Formula: C26H21N3O3S MolecularWeight: 455.52824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H21N3O3S/c1-15(2)16-7-9-17(10-8-16)25-28-20-14-19(11-12-22(20)32-25)27-26(33)29-24(30)23-13-18-5-3-4-6-21(18)31-23/h3-15H,1-2H3,(H2,27,29,30,33)