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

Systemtic Name: 3-bromanyl-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: 3-bromo-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-4-butoxy-benzamide Formula: C20H21Br2N3O3S MolecularWeight: 543.27204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)Br)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)Br)Br

InChI

InChI=1S/C20H21Br2N3O3S/c1-3-4-9-28-17-8-7-13(11-16(17)22)18(26)23-20(29)25-24-19(27)14-6-5-12(2)15(21)10-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,27)(H2,23,25,26,29)