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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

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