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

Systemtic Name: 3-bromanyl-N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-ethoxy-N-(4-hydroxybutyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[4-hydroxybutyl(p-phenetyl)thiocarbamoyl]-4-methyl-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-3-27-18-10-8-17(9-11-18)24(12-4-5-13-25)21(28)23-20(26)16-7-6-15(2)19(22)14-16/h6-11,14,25H,3-5,12-13H2,1-2H3,(H,23,26,28)