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

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC

InChI

InChI=1S/C20H22BrN3O5S/c1-13-11-15(21)5-8-17(13)29-12-18(25)23-24-20(30)22-19(26)14-3-6-16(7-4-14)28-10-9-27-2/h3-8,11H,9-10,12H2,1-2H3,(H,23,25)(H2,22,24,26,30)