3-bromanyl-4-hexoxy-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-3-4-5-6-12-29-19-11-10-17(14-18(19)23)20(27)24-22(30)26-25-21(28)16-9-7-8-15(2)13-16/h7-11,13-14H,3-6,12H2,1-2H3,(H,25,28)(H2,24,26,27,30)