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

Systemtic Name: N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-methyl-benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-11-4-3-5-13(8-11)17(24)20-18(26)22-21-16(23)10-25-15-7-6-12(2)9-14(15)19/h3-9H,10H2,1-2H3,(H,21,23)(H2,20,22,24,26)