5-bromanyl-2-hexoxy-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H32BrN3O3S/c1-3-4-5-11-18-36-26-17-16-22(30)19-24(26)28(35)32-29(37)33(2)25-15-10-9-14-23(25)27(34)31-20-21-12-7-6-8-13-21/h6-10,12-17,19H,3-5,11,18,20H2,1-2H3,(H,31,34)(H,32,35,37)