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

Systemtic Name: 3-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C24H30BrN3O4S MolecularWeight: 536.4817

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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)OCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3O4S/c1-3-5-6-7-15-31-19-11-8-17(9-12-19)23(30)27-28-24(33)26-22(29)18-10-13-21(20(25)16-18)32-14-4-2/h8-13,16H,3-7,14-15H2,1-2H3,(H,27,30)(H2,26,28,29,33)