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

Systemtic Name: N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclopropanecarboxamide Formula: C20H19BrN4O4S MolecularWeight: 491.35826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN4O4S/c21-14-5-9-16(10-6-14)29-11-17(26)23-20(30)25-24-19(28)13-3-7-15(8-4-13)22-18(27)12-1-2-12/h3-10,12H,1-2,11H2,(H,22,27)(H,24,28)(H2,23,25,26,30)