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

Systemtic Name: N-[4-[[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]propanamide Openeye Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]propanamide CAS Name: N-[4-[[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]propanamide IUPAC Name: N-[4-[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]propanamide Traditional Name: N-[4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]propionamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

InChI

InChI=1S/C23H27BrN4O4S/c1-5-20(29)25-16-8-6-15(7-9-16)22(31)27-28-23(33)26-21(30)12-32-19-10-14(4)18(24)11-17(19)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,25,29)(H,27,31)(H2,26,28,30,33)