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

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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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)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C23H20BrN3O3S/c1-15-13-19(11-12-20(15)24)30-14-21(28)26-27-23(31)25-22(29)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,26,28)(H2,25,27,29,31)