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

Systemtic Name: N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-3-4-7-12-29-18-9-6-5-8-16(18)21(28)24-22(31)26-25-20(27)14-30-19-11-10-15(2)13-17(19)23/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,25,27)(H2,24,26,28,31)