N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-5-bromanyl-2-hexoxy-benzamide

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-5-bromanyl-2-hexoxy-benzamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-5-bromo-2-hexoxybenzamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O4S/c1-3-4-5-6-13-32-20-12-9-17(24)14-19(20)22(31)26-23(33)28-27-21(30)16-7-10-18(11-8-16)25-15(2)29/h7-12,14H,3-6,13H2,1-2H3,(H,25,29)(H,27,30)(H2,26,28,31,33)