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

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C20H22BrN3O4S/c1-3-10-27-17-7-5-4-6-15(17)19(26)22-20(29)24-23-18(25)12-28-16-9-8-14(21)11-13(16)2/h4-9,11H,3,10,12H2,1-2H3,(H,23,25)(H2,22,24,26,29)