3-bromanyl-N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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