N-[4-[[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclohexanecarboxamide Formula: C27H33BrN4O4S MolecularWeight: 589.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C27H33BrN4O4S/c1-16(2)21-14-22(28)17(3)13-23(21)36-15-24(33)30-27(37)32-31-26(35)19-9-11-20(12-10-19)29-25(34)18-7-5-4-6-8-18/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,34)(H,31,35)(H2,30,32,33,37)