3-bromanyl-N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-butoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-butoxy-benzamide Formula: C21H23Br2N3O4S MolecularWeight: 573.29802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)Br)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)Br)Br

InChI

InChI=1S/C21H23Br2N3O4S/c1-3-4-9-29-17-8-6-14(11-16(17)23)20(28)24-21(31)26-25-19(27)12-30-18-7-5-13(2)10-15(18)22/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,25,27)(H2,24,26,28,31)