N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C26H19N3O3S MolecularWeight: 453.51236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C26H19N3O3S/c1-31-21-12-5-4-11-20(21)24(30)29-26(33)27-18-9-6-8-17(15-18)25-28-23-19-10-3-2-7-16(19)13-14-22(23)32-25/h2-15H,1H3,(H2,27,29,30,33)