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

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-3-4-5-12-29-16-9-6-14(7-10-16)19(26)23-21(30)25-24-20(27)15-8-11-18(28-2)17(22)13-15/h6-11,13H,3-5,12H2,1-2H3,(H,24,27)(H2,23,25,26,30)