3-bromanyl-N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-ethoxy-N-(4-hydroxybutyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[4-hydroxybutyl(p-phenetyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-3-28-17-9-7-16(8-10-17)24(12-4-5-13-25)21(29)23-20(26)15-6-11-19(27-2)18(22)14-15/h6-11,14,25H,3-5,12-13H2,1-2H3,(H,23,26,29)