N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-3-butoxy-benzamide Openeye Name: 3-butoxy-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H23Br2N3O4S MolecularWeight: 573.29802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2C)Br)Br

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2C)Br)Br

InChI

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