5-bromanyl-2-ethoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-bromo-2-ethoxy-benzamide CAS Name: 5-bromo-2-ethoxy-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-bromo-2-ethoxy-benzamide Formula: C23H21BrN2O3S MolecularWeight: 485.39344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H21BrN2O3S/c1-2-28-21-12-11-17(24)13-20(21)22(27)26-23(30)25-18-9-6-10-19(14-18)29-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H2,25,26,27,30)