4-bromanyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C20H13BrN4O2S MolecularWeight: 453.31182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H13BrN4O2S/c21-14-5-3-12(4-6-14)18(26)25-20(28)23-15-7-8-17-16(10-15)24-19(27-17)13-2-1-9-22-11-13/h1-11H,(H2,23,25,26,28)