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

Systemtic Name: N-[4-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C21H22BrClN4O4S MolecularWeight: 541.84578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrClN4O4S/c1-12(2)9-18(28)24-15-6-3-13(4-7-15)20(30)26-27-21(32)25-19(29)11-31-17-8-5-14(22)10-16(17)23/h3-8,10,12H,9,11H2,1-2H3,(H,24,28)(H,26,30)(H2,25,27,29,32)