5-bromanyl-2-ethoxy-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC

InChI

InChI=1S/C23H28BrN3O4S/c1-3-5-6-7-14-31-18-11-8-16(9-12-18)21(28)26-27-23(32)25-22(29)19-15-17(24)10-13-20(19)30-4-2/h8-13,15H,3-7,14H2,1-2H3,(H,26,28)(H2,25,27,29,32)