3-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O4S/c1-5-6-11-29-20-9-7-16(12-21(20)28-4)14-25-23(31)26-22(27)17-8-10-19(18(24)13-17)30-15(2)3/h7-10,12-13,15H,5-6,11,14H2,1-4H3,(H2,25,26,27,31)