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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C22H16BrN3O3S MolecularWeight: 482.34974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4)Br

InChI

InChI=1S/C22H16BrN3O3S/c1-28-18-9-7-14(11-16(18)23)20(27)26-22(30)24-15-8-10-19-17(12-15)25-21(29-19)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,26,27,30)