5-bromanyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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