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

Systemtic Name: N-[4-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)Br

InChI

InChI=1S/C22H25BrN4O4S/c1-13(2)10-19(28)24-16-7-5-15(6-8-16)21(30)26-27-22(32)25-20(29)12-31-18-9-4-14(3)11-17(18)23/h4-9,11,13H,10,12H2,1-3H3,(H,24,28)(H,26,30)(H2,25,27,29,32)