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

Systemtic Name: 5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C24H30BrN3O5S MolecularWeight: 552.4811

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3O5S/c1-3-4-5-6-13-32-19-10-7-17(8-11-19)22(29)27-28-24(34)26-23(30)20-16-18(25)9-12-21(20)33-15-14-31-2/h7-12,16H,3-6,13-15H2,1-2H3,(H,27,29)(H2,26,28,30,34)