N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: 3-iodo-4-methoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: 3-iodo-4-methoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24IN3O4S MolecularWeight: 541.40243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24IN3O4S/c1-4-13(2)14-5-8-16(9-6-14)29-12-19(26)24-25-21(30)23-20(27)15-7-10-18(28-3)17(22)11-15/h5-11,13H,4,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)