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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methyl-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methyl-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-methylbenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-2-methyl-benzamide Formula: C26H19N3O2S MolecularWeight: 437.51296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C26H19N3O2S/c1-16-7-2-4-11-20(16)24(30)29-26(32)27-19-10-6-9-18(15-19)25-28-23-21-12-5-3-8-17(21)13-14-22(23)31-25/h2-15H,1H3,(H2,27,29,30,32)