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

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

Isomeric SMILES

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

InChI

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