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

Systemtic Name: 3-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-4-isopropoxy-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)OC(C)C)Br

Isomeric SMILES

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

InChI

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