5-bromanyl-N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24BrN3O4S/c1-13(2)12-29-18-9-6-15(22)11-17(18)20(27)23-21(30)25-24-19(26)10-14-4-7-16(28-3)8-5-14/h4-9,11,13H,10,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)