5-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-2-methoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-2-methoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-4-13(2)14-5-8-16(9-6-14)29-12-19(26)24-25-21(30)23-20(27)17-11-15(22)7-10-18(17)28-3/h5-11,13H,4,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)