N-[4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)Br

InChI

InChI=1S/C23H27BrN4O4S/c1-4-15-5-10-19(18(24)12-15)32-13-21(30)26-23(33)28-27-22(31)16-6-8-17(9-7-16)25-20(29)11-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,29)(H,27,31)(H2,26,28,30,33)