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

Systemtic Name: 3-bromanyl-N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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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)OCCC3=CC=CC=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)C

InChI

InChI=1S/C26H26BrN3O4S/c1-17-7-6-10-22(18(17)2)34-16-24(31)29-30-26(35)28-25(32)20-11-12-23(21(27)15-20)33-14-13-19-8-4-3-5-9-19/h3-12,15H,13-14,16H2,1-2H3,(H,29,31)(H2,28,30,32,35)