N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-3-4-5-8-13-29-19-10-7-6-9-17(19)21(28)24-22(30)26-25-20(27)16-12-11-15(2)18(23)14-16/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,25,27)(H2,24,26,28,30)