3-bromanyl-4-hexoxy-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-(methylcarbamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(methylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-3-4-5-8-13-29-19-12-11-15(14-17(19)23)20(27)26-22(30)25-18-10-7-6-9-16(18)21(28)24-2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,24,28)(H2,25,26,27,30)