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

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-3-4-5-12-28-17-10-8-15(9-11-17)19(26)23-21(29)25-24-20(27)16-7-6-14(2)18(22)13-16/h6-11,13H,3-5,12H2,1-2H3,(H,24,27)(H2,23,25,26,29)