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

Systemtic Name: 3-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-4-(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=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

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

InChI

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