N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O4S/c1-2-3-17(26)22-15-8-4-13(5-9-15)19(28)24-25-20(30)23-18(27)12-29-16-10-6-14(21)7-11-16/h4-11H,2-3,12H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,30)