5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-isobutoxy-benzamide Formula: C24H31BrN2O4S MolecularWeight: 523.48294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C)OC

InChI

InChI=1S/C24H31BrN2O4S/c1-5-6-11-30-21-9-7-17(12-22(21)29-4)14-26-24(32)27-23(28)19-13-18(25)8-10-20(19)31-15-16(2)3/h7-10,12-13,16H,5-6,11,14-15H2,1-4H3,(H2,26,27,28,32)