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

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-(2-ethoxyethoxy)benzamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-(2-ethoxyethoxy)benzamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(2-ethoxyethoxy)benzamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-ethoxyethoxy)benzamide Traditional Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(2-ethoxyethoxy)benzamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H24BrN3O5S/c1-3-28-9-10-29-17-6-4-5-15(12-17)20(27)23-21(31)25-24-19(26)13-30-18-8-7-16(22)11-14(18)2/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,24,26)(H2,23,25,27,31)